G4VJU5_SCHMA Loading...

Origin recognition complex subunit 4

Component of the origin recognition complex (ORC) that binds origins of replication.

AlphaFold DB , UniProt , Accession G4VJU5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 488 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M67.2Low79.6Confident87 Ų8743.4 Ų43.443%0.42922%0.217SC..  0-45.10-67.3-55-100.200111.9L3 I4 C5 W286 D332M1-L3 PolarHBondContact O-N 3.03Å; M1-L3 VanDerWaalsContact O-N 3.12Å; M1-I4 WeakPolarHBondContact O-CA 3.41Å; M1-I4 WeakPolarHBondContact O-CB 3.34Å; M1-I4 PolarHBondContact O-N 3.36Å; M1-I4 HydrophobicContact SD-CD1 3.98Å; M1-C5 PolarHBondContact O-N 2.91Å; M1-W286 HydrophobicContact CE-CE3 4.01Å; M1-W286 HydrophobicContact CE-CZ3 4.35Å; M1-D332 HydrophobicContact CE-CB 3.78Å; M1-D332 VanDerWaalsContact CE-O 3.28Å; M1-D332 WeakPolarHBondContact CE-O 3.03Å; M1-D332 HydrophobicContact CG-CB 4.42Å
2D75.2Confident79.9Confident99 Ų9940.1 Ų40.153%0.52920%0.2SC..Hα-helixtrans-47.5-44.2178.6-58.4-19.2000114.1I4 C5 D6D2-I4 VanDerWaalsContact C-N 3.33Å; D2-I4 PolarHBondContact O-N 3.34Å; D2-C5 PolarHBondContact O-N 3.47Å; D2-D6 WeakPolarHBondContact O-CB 3.26Å; D2-D6 PolarHBondContact O-N 3.47Å
3L76.3Confident79.8Confident50 Ų5051.8 Ų51.826%0.26224%0.241SC..Hα-helixtrans-60.2-40.1176.7-160.872.4000113.1M1 V7 L264 L279M1-L3 PolarHBondContact O-N 3.03Å; M1-L3 VanDerWaalsContact O-N 3.12Å; L3-V7 WeakPolarHBondContact O-CB 3.22Å; L3-V7 WeakPolarHBondContact O-CG2 3.29Å; L3-V7 PolarHBondContact O-N 3.01Å; L3-L264 HydrophobicContact CD1-CD1 3.58Å; L3-L264 HydrophobicContact CD1-CD2 4.12Å; L3-L264 HydrophobicContact CD1-CG 4.49Å; L3-L264 HydrophobicContact CD2-CD1 4.28Å; L3-L264 HydrophobicContact CG-CD1 3.99Å; L3-L279 HydrophobicContact CD2-CD1 3.73Å; L3-L279 HydrophobicContact CD2-CD2 3.77Å; L3-L279 HydrophobicContact CD2-CG 4.42Å
4I80Confident79.1Confident4 Ų450.1 Ų50.12%0.02124%0.244CC..Hα-helixtrans-66.4-46.8178-63.7174.5000109.1M1 D2 D6 V7 L8 V255 I283 W286M1-I4 WeakPolarHBondContact O-CA 3.41Å; M1-I4 WeakPolarHBondContact O-CB 3.34Å; M1-I4 PolarHBondContact O-N 3.36Å; M1-I4 HydrophobicContact SD-CD1 3.98Å; D2-I4 VanDerWaalsContact C-N 3.33Å; D2-I4 PolarHBondContact O-N 3.34Å; I4-D6 PolarHBondContact O-N 3.22Å; I4-V7 PolarHBondContact O-N 2.69Å; I4-L8 HydrophobicContact CG2-CD1 4.05Å; I4-L8 HydrophobicContact CG2-CG 4.48Å; I4-L8 VanDerWaalsContact O-CG 3.3Å; I4-L8 WeakPolarHBondContact O-CG 3.25Å; I4-L8 PolarHBondContact O-N 3.5Å; I4-V255 HydrophobicContact CG2-CG2 4.01Å; I4-I283 HydrophobicContact CD1-CG1 4.35Å; I4-I283 HydrophobicContact CG1-CG1 4.45Å; I4-W286 HydrophobicContact CD1-CB 4.3Å; I4-W286 HydrophobicContact CG2-CD2 4.05Å; I4-W286 HydrophobicContact CG2-CG 4.07Å
5C82.5Confident78.3Confident3 Ų351.4 Ų51.42%0.0225%0.253CS..Hα-helixtrans-59.7-45.1178-63.40000111.7M1 D2 V7 L8 R9M1-C5 PolarHBondContact O-N 2.91Å; D2-C5 PolarHBondContact O-N 3.47Å; C5-V7 PolarHBondContact O-N 3.43Å; C5-L8 PolarHBondContact O-N 3.25Å; C5-R9 WeakPolarHBondContact O-CB 3.36Å; C5-R9 WeakPolarHBondContact O-CG 3.24Å; C5-R9 PolarHBondContact O-N 3.25Å
6D81Confident77.4Confident71 Ų7152.6 Ų52.638%0.3826%0.258SS..Hα-helixtrans-65.3-40.6179-72.1-19.4000111.9D2 I4 L8 R9 I10D2-D6 WeakPolarHBondContact O-CB 3.26Å; D2-D6 PolarHBondContact O-N 3.47Å; I4-D6 PolarHBondContact O-N 3.22Å; D6-L8 PolarHBondContact O-N 3.38Å; D6-R9 PolarHBondContact O-N 2.96Å; D6-R9 IonicContact OD1-NH1 3.6Å; D6-R9 PolarHBondContact OD1-NH1 3.21Å; D6-I10 WeakPolarHBondContact O-CB 3.06Å; D6-I10 WeakPolarHBondContact O-CD1 3.35Å; D6-I10 WeakPolarHBondContact O-CG1 3.38Å; D6-I10 PolarHBondContact O-N 3.35Å
7V80.7Confident76.8Confident14 Ų1450.6 Ų50.69%0.08525%0.247CC..Hα-helixtrans-63.8-42.7175.6171.50000111L3 I4 C5 I10 K11 V255 L260 L264L3-V7 WeakPolarHBondContact O-CB 3.22Å; L3-V7 WeakPolarHBondContact O-CG2 3.29Å; L3-V7 PolarHBondContact O-N 3.01Å; I4-V7 PolarHBondContact O-N 2.69Å; C5-V7 PolarHBondContact O-N 3.43Å; V7-I10 PolarHBondContact O-N 3.42Å; V7-K11 WeakPolarHBondContact O-CB 3.31Å; V7-K11 PolarHBondContact O-N 2.97Å; V7-V255 HydrophobicContact CG1-CG1 4Å; V7-L260 HydrophobicContact CB-CD2 4.15Å; V7-L260 HydrophobicContact CG1-CD2 3.98Å; V7-L260 HydrophobicContact CG2-CD2 3.27Å; V7-L264 HydrophobicContact CG2-CD1 3.94Å
8L84.1Confident76.3Confident0 Ų055.8 Ų55.80%026%0.264CS..Hα-helixtrans-62.9-45.3175.2-71.5171.9000111.8I4 C5 D6 I10 K11 L12 L253 V255 W286 V324 L327I4-L8 HydrophobicContact CG2-CD1 4.05Å; I4-L8 HydrophobicContact CG2-CG 4.48Å; I4-L8 VanDerWaalsContact O-CG 3.3Å; I4-L8 WeakPolarHBondContact O-CG 3.25Å; I4-L8 PolarHBondContact O-N 3.5Å; C5-L8 PolarHBondContact O-N 3.25Å; D6-L8 PolarHBondContact O-N 3.38Å; L8-I10 VanDerWaalsContact C-N 3.31Å; L8-I10 PolarHBondContact O-N 2.99Å; L8-K11 PolarHBondContact O-N 2.99Å; L8-L12 WeakPolarHBondContact O-CB 3.17Å; L8-L12 WeakPolarHBondContact O-CG 3.36Å; L8-L12 PolarHBondContact O-N 2.95Å; L8-L253 WeakPolarHBondContact CD2-O 3.5Å; L8-V255 HydrophobicContact CD1-CG2 4.42Å; L8-V255 HydrophobicContact CD2-CG2 3.53Å; L8-V255 HydrophobicContact CG-CG2 3.78Å; L8-W286 HydrophobicContact CD1-CH2 4.26Å; L8-W286 HydrophobicContact CD1-CZ2 3.46Å; L8-W286 VanDerWaalsContact CD1-CZ2 3.46Å; L8-V324 HydrophobicContact CB-CG1 3.75Å; L8-L327 HydrophobicContact CD1-CD1 4.44Å
9R84.9Confident75.9Confident76 Ų7653.3 Ų53.329%0.28725%0.252SS..Hα-helixtrans-59.6-43.3177.1-71.5165.7-174.1163.3-4.3111.2C5 D6 R13 V324 L327C5-R9 WeakPolarHBondContact O-CB 3.36Å; C5-R9 WeakPolarHBondContact O-CG 3.24Å; C5-R9 PolarHBondContact O-N 3.25Å; D6-R9 PolarHBondContact O-N 2.96Å; D6-R9 IonicContact OD1-NH1 3.6Å; D6-R9 PolarHBondContact OD1-NH1 3.21Å; R9-R13 VanDerWaalsContact O-CB 3.24Å; R9-R13 WeakPolarHBondContact O-CB 3.44Å; R9-R13 VanDerWaalsContact O-CG 3.23Å; R9-R13 WeakPolarHBondContact O-CG 3.49Å; R9-R13 PolarHBondContact O-N 3.43Å; R9-V324 HydrophobicContact CG-CG1 3.85Å; R9-L327 PolarHBondContact NH2-O 3.26Å
10I81.5Confident75.6Confident68 Ų6853 Ų5335%0.34925%0.252SS..Hα-helixtrans-70.3-43178.4-64.9164.3000110.9D6 V7 L8 L12 R13 G14D6-I10 WeakPolarHBondContact O-CB 3.06Å; D6-I10 WeakPolarHBondContact O-CD1 3.35Å; D6-I10 WeakPolarHBondContact O-CG1 3.38Å; D6-I10 PolarHBondContact O-N 3.35Å; V7-I10 PolarHBondContact O-N 3.42Å; L8-I10 VanDerWaalsContact C-N 3.31Å; L8-I10 PolarHBondContact O-N 2.99Å; I10-L12 PolarHBondContact O-N 3.19Å; I10-R13 PolarHBondContact O-N 3.07Å; I10-G14 WeakPolarHBondContact O-CA 3.19Å; I10-G14 PolarHBondContact O-N 2.62Å
11K82.7Confident75.5Confident5 Ų554.4 Ų54.42%0.02226%0.255CS..Hα-helixtrans-57.7-45.4176.8-178.2170.6176.91660112.1V7 L8 N15 Q16 H17 H251 S254 D259V7-K11 WeakPolarHBondContact O-CB 3.31Å; V7-K11 PolarHBondContact O-N 2.97Å; L8-K11 PolarHBondContact O-N 2.99Å; K11-N15 PolarHBondContact O-N 2.74Å; K11-Q16 PolarHBondContact O-N 3.37Å; K11-H17 HydrophobicContact CD-CB 4.48Å; K11-H17 HydrophobicContact CG-CB 4.03Å; K11-H251 WeakPolarHBondContact CE-O 3.4Å; K11-H251 PolarHBondContact NZ-O 2.71Å; K11-S254 PolarHBondContact NZ-O 3.35Å; K11-D259 IonicContact NZ-OD2 2.83Å; K11-D259 PolarHBondContact NZ-OD2 3.01Å; K11-D259 VanDerWaalsContact NZ-OD2 3.1Å
12L82.8Confident76.1Confident4 Ų450.9 Ų50.92%0.02124%0.238CC..Hα-helixtrans-74-44.9179-68.5179.8000112.9L8 I10 L252 I317 L320 V324L8-L12 WeakPolarHBondContact O-CB 3.17Å; L8-L12 WeakPolarHBondContact O-CG 3.36Å; L8-L12 PolarHBondContact O-N 2.95Å; I10-L12 PolarHBondContact O-N 3.19Å; L12-L252 HydrophobicContact CD2-CB 4.18Å; L12-L252 HydrophobicContact CD2-CD2 4.32Å; L12-I317 HydrophobicContact CB-CG2 4.47Å; L12-I317 HydrophobicContact CD2-CG2 4.4Å; L12-L320 HydrophobicContact CD1-CB 4.08Å; L12-L320 HydrophobicContact CD2-CB 4.43Å; L12-L320 HydrophobicContact CD2-CD1 4.44Å; L12-V324 HydrophobicContact CD1-CB 3.83Å; L12-V324 HydrophobicContact CD1-CG1 4.17Å; L12-V324 HydrophobicContact CD1-CG2 3.54Å
13R78.4Confident76.5Confident193 Ų19350.4 Ų50.473%0.72824%0.235SC*.Hα-helixtrans-72.6-39.7-179.1-70.7178.9177.8-168.60.7112.8R9 I10R9-R13 VanDerWaalsContact O-CB 3.24Å; R9-R13 WeakPolarHBondContact O-CB 3.44Å; R9-R13 VanDerWaalsContact O-CG 3.23Å; R9-R13 WeakPolarHBondContact O-CG 3.49Å; R9-R13 PolarHBondContact O-N 3.43Å; I10-R13 PolarHBondContact O-N 3.07Å
14G70.1Confident77.1Confident28 Ų2856.6 Ų56.629%0.28926%0.26SS..Hα-helixtrans-88.5-3.9-172.500000115.2I10 K60I10-G14 WeakPolarHBondContact O-CA 3.19Å; I10-G14 PolarHBondContact O-N 2.62Å; G14-K60 PolarHBondContact O-NZ 3.38Å
15N67Low77.6Confident69 Ų6958.9 Ų58.937%0.36927%0.271SS..THydrogen-bonded Turntrans45.461.1-166.2-64-50.8000110.3K11 H57K11-N15 PolarHBondContact O-N 2.74Å; N15-H57 PolarHBondContact O-CE1 3.37Å; N15-H57 PolarHBondContact O-ND1 3.45Å
16Q64.4Low77.9Confident71 Ų7159.1 Ų59.133%0.33227%0.271SS..  trans-111.215.7178.4-71.7164.3-27.700111.8K11 Q263K11-Q16 PolarHBondContact O-N 3.37Å; Q16-Q263 VanDerWaalsContact NE2-OE1 3.16Å; Q16-Q263 VanDerWaalsContact OE1-CD 3.29Å; Q16-Q263 VanDerWaalsContact OE1-OE1 3.11Å
17H67Low78.4Confident18 Ų1862 Ų628%0.08328%0.28CS..SBendtrans-69.4155.9170.655.9-87.1000110.5K11 H57 L252K11-H17 HydrophobicContact CD-CB 4.48Å; K11-H17 HydrophobicContact CG-CB 4.03Å; H17-H57 AromaticContact CD2-CD2 3.85Å; H17-H57 AromaticContact CD2-NE2 3.62Å; H17-H57 AromaticContact CE1-CD2 3.89Å; H17-H57 AromaticContact CE1-NE2 3.97Å; H17-H57 AromaticContact CG-NE2 4Å; H17-H57 AromaticContact NE2-CD2 3.4Å; H17-H57 PolarHBondContact NE2-CD2 3.01Å; H17-H57 AromaticContact NE2-NE2 3.61Å; H17-H57 PolarHBondContact O-CE1 2.92Å; H17-H57 PolarHBondContact O-NE2 2.92Å; H17-L252 HydrophobicContact CB-CD2 3.82Å
18R67.9Low78.9Confident145 Ų14565.8 Ų65.855%0.54729%0.294SS..PPolyproline II helixtrans-67.8137172-174.2179.3174.5170.7-0.9109.5L20 H251R18-L20 PolarHBondContact O-N 3.09Å; R18-H251 WeakPolarHBondContact CB-NE2 3.37Å
19L67.7Low79.3Confident7 Ų765.8 Ų65.84%0.03729%0.294CS..PPolyproline II helixtrans-65.3120.9167.9-73.3158.8000109.2F22 L26 H57 L58 E61L19-F22 HydrophobicContact CD2-CD2 3.99Å; L19-L26 HydrophobicContact CD1-CD1 3.78Å; L19-H57 HydrophobicContact CD2-CB 4.3Å; L19-H57 WeakPolarHBondContact CD2-CD2 3.4Å; L19-L58 VanDerWaalsContact CD1-CA 3.49Å; L19-L58 HydrophobicContact CD1-CB 4.3Å; L19-L58 HydrophobicContact CD1-CD1 3.84Å; L19-E61 WeakPolarHBondContact CB-OE2 3.11Å; L19-E61 HydrophobicContact CD1-CB 3.48Å; L19-E61 VanDerWaalsContact CD1-CB 3.48Å; L19-E61 HydrophobicContact CD1-CG 4.09Å; L19-E61 WeakPolarHBondContact CD1-OE2 3.03Å; L19-E61 HydrophobicContact CG-CB 4.42Å; L19-E61 WeakPolarHBondContact CG-OE2 3.27Å; L19-E61 PolarHBondContact N-OE2 3.36Å
20L70.9Confident79.5Confident48 Ų4864.2 Ų64.225%0.25129%0.29SS..PPolyproline II helixtrans-98.3144.4170.1-62.3179.4000109.5R18 F22 I248 H251R18-L20 PolarHBondContact O-N 3.09Å; L20-F22 WeakPolarHBondContact O-CD2 3.35Å; L20-F22 PolarHBondContact O-N 3.49Å; L20-F22 VanDerWaalsContact O-N 3.08Å; L20-I248 HydrophobicContact CD1-CG1 4.44Å; L20-H251 HydrophobicContact CD1-CB 3.48Å; L20-H251 VanDerWaalsContact CD1-CB 3.48Å
21Y72.9Confident79.9Confident82 Ų8264.5 Ų64.532%0.32229%0.292SS..SBendtrans67.2-7.5176.2-45.8-82000117.4P216 R244 E247 I248Y21-P216 HydrophobicContact CD2-CB 3.55Å; Y21-P216 HydrophobicContact CD2-CG 4Å; Y21-P216 HydrophobicContact CE2-CB 4.27Å; Y21-P216 HydrophobicContact CG-CB 3.95Å; Y21-P216 HydrophobicContact CG-CG 4.5Å; Y21-R244 HydrophobicContact CE1-CB 4.44Å; Y21-R244 HydrophobicContact CE1-CG 3.92Å; Y21-R244 HydrophobicContact CE2-CB 4.23Å; Y21-E247 VanDerWaalsContact OH-CB 3.31Å; Y21-E247 WeakPolarHBondContact OH-CB 3.26Å; Y21-E247 PolarHBondContact OH-OE2 3.37Å; Y21-I248 HydrophobicContact CD2-CD1 4.34Å; Y21-I248 HydrophobicContact CD2-CG1 4.38Å; Y21-I248 HydrophobicContact CE2-CD1 4.13Å; Y21-I248 HydrophobicContact CE2-CG1 3.84Å
22F81.2Confident80.2Confident14 Ų1465 Ų656%0.06130%0.295CS..  trans-98.124.3178-63.1-66.7000113.9L19 L20 K24 E25 L26 L58 L213 T214 P216 I313L19-F22 HydrophobicContact CD2-CD2 3.99Å; L20-F22 WeakPolarHBondContact O-CD2 3.35Å; L20-F22 PolarHBondContact O-N 3.49Å; L20-F22 VanDerWaalsContact O-N 3.08Å; F22-K24 VanDerWaalsContact C-N 3.27Å; F22-K24 PolarHBondContact O-N 3.34Å; F22-E25 VanDerWaalsContact CA-OE2 3.32Å; F22-E25 WeakPolarHBondContact CA-OE2 3.27Å; F22-E25 PolarHBondContact O-N 3.21Å; F22-L26 WeakPolarHBondContact O-CB 3.36Å; F22-L26 PolarHBondContact O-N 2.76Å; F22-L58 HydrophobicContact CB-CD1 4.23Å; F22-L213 HydrophobicContact CD1-CD2 3.68Å; F22-L213 HydrophobicContact CE1-CD2 3.72Å; F22-T214 VanDerWaalsContact CE1-O 3.32Å; F22-T214 WeakPolarHBondContact CE1-O 3.44Å; F22-T214 VanDerWaalsContact CZ-O 3.31Å; F22-T214 WeakPolarHBondContact CZ-O 3.43Å; F22-P216 HydrophobicContact CD2-CG 4.49Å; F22-P216 HydrophobicContact CE2-CG 3.68Å; F22-P216 HydrophobicContact CZ-CG 3.71Å; F22-I313 HydrophobicContact CE2-CD1 4.45Å
23D83.6Confident80.5Confident89 Ų8965 Ų6548%0.47630%0.295SS..Hα-helixtrans-62.9-33.4-173.6-69.2-44000112.7K27D23-K27 VanDerWaalsContact O-CB 3.23Å; D23-K27 WeakPolarHBondContact O-CB 3.22Å; D23-K27 PolarHBondContact O-N 3.46Å
24K87.7Confident81Confident180 Ų18057 Ų5778%0.78327%0.269SS*.Hα-helixtrans-69.1-48.6179.2-66.6-178.9-177.9176.70111.1F22 K27 Y28F22-K24 VanDerWaalsContact C-N 3.27Å; F22-K24 PolarHBondContact O-N 3.34Å; K24-K27 PolarHBondContact O-N 2.9Å; K24-Y28 WeakPolarHBondContact O-CB 3.47Å; K24-Y28 PolarHBondContact O-N 3.41Å
25E89.8Confident81.8Confident52 Ų5256.9 Ų56.924%0.24326%0.264CS..Hα-helixtrans-67.5-39-179.9-62.279-175.400111F22 Y28 L29 L58 I211 L213F22-E25 VanDerWaalsContact CA-OE2 3.32Å; F22-E25 WeakPolarHBondContact CA-OE2 3.27Å; F22-E25 PolarHBondContact O-N 3.21Å; E25-Y28 PolarHBondContact O-N 3.34Å; E25-L29 WeakPolarHBondContact O-CB 3.5Å; E25-L29 PolarHBondContact O-N 3.02Å; E25-L58 HydrophobicContact CB-CD2 4.11Å; E25-I211 HydrophobicContact CB-CG2 3.96Å; E25-I211 HydrophobicContact CG-CG2 3.61Å; E25-L213 HydrophobicContact CB-CD2 4.27Å; E25-L213 HydrophobicContact CG-CD2 3.97Å
26L89.7Confident82.7Confident7 Ų753.8 Ų53.84%0.03725%0.247CC..Hα-helixtrans-63.9-47175178.1140.4000111.2L19 F22 Y28 L29 Q30 L58 E61 K65L19-L26 HydrophobicContact CD1-CD1 3.78Å; F22-L26 WeakPolarHBondContact O-CB 3.36Å; F22-L26 PolarHBondContact O-N 2.76Å; L26-Y28 VanDerWaalsContact C-N 3.33Å; L26-Y28 PolarHBondContact O-N 3.43Å; L26-L29 PolarHBondContact O-N 2.8Å; L26-Q30 WeakPolarHBondContact O-CB 3.4Å; L26-Q30 PolarHBondContact O-N 2.82Å; L26-L58 HydrophobicContact CB-CD1 3.75Å; L26-L58 HydrophobicContact CD1-CD1 4.45Å; L26-L58 HydrophobicContact CG-CD1 4.5Å; L26-E61 HydrophobicContact CD1-CB 3.98Å; L26-E61 HydrophobicContact CD1-CG 3.75Å; L26-E61 VanDerWaalsContact CD1-OE1 3.25Å; L26-E61 WeakPolarHBondContact CD1-OE1 3.38Å; L26-K65 HydrophobicContact CD1-CD 4.16Å; L26-K65 HydrophobicContact CD2-CD 3.65Å; L26-K65 VanDerWaalsContact CD2-NZ 3.29Å; L26-K65 HydrophobicContact CG-CD 4.38Å
27K90.9Very high83.6Confident131 Ų13151.4 Ų51.457%0.5724%0.237SC*.Hα-helixtrans-62-44.4177.8-176.9173.3-178.9173.50110.9D23 K24 L29 Q30 D31D23-K27 VanDerWaalsContact O-CB 3.23Å; D23-K27 WeakPolarHBondContact O-CB 3.22Å; D23-K27 PolarHBondContact O-N 3.46Å; K24-K27 PolarHBondContact O-N 2.9Å; K27-L29 PolarHBondContact O-N 3.38Å; K27-Q30 PolarHBondContact O-N 2.99Å; K27-D31 WeakPolarHBondContact O-CB 3.37Å; K27-D31 PolarHBondContact O-N 3.07Å
28Y92.4Very high84.4Confident95 Ų9554.5 Ų54.537%0.37326%0.261SS..Hα-helixtrans-59.6-45.3175.7-177.4-111000112K24 E25 L26 D31 L32 I45 I211K24-Y28 WeakPolarHBondContact O-CB 3.47Å; K24-Y28 PolarHBondContact O-N 3.41Å; E25-Y28 PolarHBondContact O-N 3.34Å; L26-Y28 VanDerWaalsContact C-N 3.33Å; L26-Y28 PolarHBondContact O-N 3.43Å; Y28-D31 PolarHBondContact O-N 2.84Å; Y28-L32 HydrophobicContact CD1-CD1 4.05Å; Y28-L32 HydrophobicContact CE1-CD1 3.61Å; Y28-L32 HydrophobicContact CE1-CG 4.42Å; Y28-L32 VanDerWaalsContact O-CG 3.28Å; Y28-L32 WeakPolarHBondContact O-CG 3.35Å; Y28-L32 PolarHBondContact O-N 3.36Å; Y28-L32 VanDerWaalsContact O-N 3.08Å; Y28-I45 HydrophobicContact CD1-CD1 4.22Å; Y28-I45 HydrophobicContact CE1-CD1 3.65Å; Y28-I211 HydrophobicContact CD1-CD1 3.81Å; Y28-I211 HydrophobicContact CD1-CG1 4.04Å; Y28-I211 HydrophobicContact CE1-CD1 4.31Å; Y28-I211 HydrophobicContact CE1-CG1 4.25Å
29L91.6Very high85.1Confident0 Ų054.1 Ų54.10%026%0.263CS..Hα-helixtrans-66.7-38177.7-171.360.5000112.3E25 L26 K27 L32 I33 I45 I47 L58 I59 A62 I186E25-L29 WeakPolarHBondContact O-CB 3.5Å; E25-L29 PolarHBondContact O-N 3.02Å; L26-L29 PolarHBondContact O-N 2.8Å; K27-L29 PolarHBondContact O-N 3.38Å; L29-L32 PolarHBondContact O-N 3.23Å; L29-I33 HydrophobicContact CG-CD1 4.14Å; L29-I33 WeakPolarHBondContact O-CG1 3.31Å; L29-I33 PolarHBondContact O-N 3.47Å; L29-I45 HydrophobicContact CD1-CG2 4.43Å; L29-I47 HydrophobicContact CD2-CD1 4.2Å; L29-L58 HydrophobicContact CD2-CG 4.25Å; L29-I59 HydrophobicContact CD2-CG1 4.15Å; L29-A62 HydrophobicContact CB-CB 4.15Å; L29-A62 HydrophobicContact CD2-CB 3.64Å; L29-A62 HydrophobicContact CG-CB 3.83Å; L29-I186 HydrophobicContact CD1-CD1 3.9Å; L29-I186 HydrophobicContact CD1-CG1 4.5Å
30Q89.6Confident85.6Confident42 Ų4254.2 Ų54.220%0.19627%0.266CS..Hα-helixtrans-62.2-47.2174.2-178.1-177.2-2.500111.2L26 K27 L32 I33 S34 D69L26-Q30 WeakPolarHBondContact O-CB 3.4Å; L26-Q30 PolarHBondContact O-N 2.82Å; K27-Q30 PolarHBondContact O-N 2.99Å; Q30-L32 PolarHBondContact O-N 3.08Å; Q30-I33 PolarHBondContact O-N 2.83Å; Q30-S34 WeakPolarHBondContact O-CB 3.26Å; Q30-S34 PolarHBondContact O-N 3.46Å; Q30-S34 PolarHBondContact O-OG 3.35Å; Q30-D69 PolarHBondContact NE2-OD2 2.93Å
31D90.5Very high86.2Confident75 Ų7556.1 Ų56.140%0.40127%0.273SS..Hα-helixtrans-61.5-33.6178.3-70.5-20.8000111.8K27 Y28 S34 S35K27-D31 WeakPolarHBondContact O-CB 3.37Å; K27-D31 PolarHBondContact O-N 3.07Å; Y28-D31 PolarHBondContact O-N 2.84Å; D31-S34 WeakPolarHBondContact CA-OG 3.45Å; D31-S34 PolarHBondContact O-OG 2.75Å; D31-S35 WeakPolarHBondContact O-CB 3.26Å; D31-S35 PolarHBondContact O-N 2.67Å; D31-S35 PolarHBondContact O-OG 3.17Å
32L89.3Confident86.9Confident14 Ų1453.5 Ų53.57%0.07327%0.267CS..Hα-helixtrans-70.3-46.5174.7-72.2-179.6000112.7Y28 L29 Q30 S35 T36 I45Y28-L32 HydrophobicContact CD1-CD1 4.05Å; Y28-L32 HydrophobicContact CE1-CD1 3.61Å; Y28-L32 HydrophobicContact CE1-CG 4.42Å; Y28-L32 VanDerWaalsContact O-CG 3.28Å; Y28-L32 WeakPolarHBondContact O-CG 3.35Å; Y28-L32 PolarHBondContact O-N 3.36Å; Y28-L32 VanDerWaalsContact O-N 3.08Å; L29-L32 PolarHBondContact O-N 3.23Å; Q30-L32 PolarHBondContact O-N 3.08Å; L32-S35 PolarHBondContact O-N 3.31Å; L32-T36 WeakPolarHBondContact O-CB 3.46Å; L32-T36 PolarHBondContact O-N 3.07Å; L32-T36 PolarHBondContact O-OG1 3.04Å; L32-I45 HydrophobicContact CD1-CD1 3.43Å; L32-I45 VanDerWaalsContact CD1-CD1 3.43Å
33I89.2Confident87.2Confident5 Ų553 Ų533%0.02627%0.266CS..Hα-helixtrans-64.5-45.1178.1-66.9167.8000109.6L29 Q30 S35 T36 V37 A62 I63 A66 I76L29-I33 HydrophobicContact CG-CD1 4.14Å; L29-I33 WeakPolarHBondContact O-CG1 3.31Å; L29-I33 PolarHBondContact O-N 3.47Å; Q30-I33 PolarHBondContact O-N 2.83Å; I33-S35 PolarHBondContact O-N 3.02Å; I33-T36 WeakPolarHBondContact O-CB 3.31Å; I33-T36 PolarHBondContact O-N 2.9Å; I33-V37 WeakPolarHBondContact O-CG2 3.35Å; I33-V37 PolarHBondContact O-N 3.38Å; I33-A62 HydrophobicContact CD1-CB 4.19Å; I33-I63 HydrophobicContact CD1-CG1 4.28Å; I33-A66 HydrophobicContact CB-CB 4.46Å; I33-A66 HydrophobicContact CG2-CB 3.81Å; I33-I76 HydrophobicContact CG2-CD1 4.09Å
34S87.6Confident87.6Confident26 Ų2648.9 Ų48.918%0.18224%0.244CC..Hα-helixtrans-63.6-41.6177.969.60000111.8Q30 D31 T36 V37 S38Q30-S34 WeakPolarHBondContact O-CB 3.26Å; Q30-S34 PolarHBondContact O-N 3.46Å; Q30-S34 PolarHBondContact O-OG 3.35Å; D31-S34 WeakPolarHBondContact CA-OG 3.45Å; D31-S34 PolarHBondContact O-OG 2.75Å; S34-T36 VanDerWaalsContact C-N 3.34Å; S34-T36 PolarHBondContact O-N 3.48Å; S34-V37 PolarHBondContact O-N 3.3Å; S34-S38 WeakPolarHBondContact O-CB 3.08Å; S34-S38 PolarHBondContact O-N 2.82Å; S34-S38 PolarHBondContact O-OG 3.48Å
35S87.1Confident87.9Confident25 Ų2540.4 Ų40.418%0.17521%0.207CC..Hα-helixtrans-63.4-39174.1-63.20000112.2D31 L32 I33 V37 K39 G40D31-S35 WeakPolarHBondContact O-CB 3.26Å; D31-S35 PolarHBondContact O-N 2.67Å; D31-S35 PolarHBondContact O-OG 3.17Å; L32-S35 PolarHBondContact O-N 3.31Å; I33-S35 PolarHBondContact O-N 3.02Å; S35-V37 VanDerWaalsContact C-N 3.32Å; S35-V37 PolarHBondContact O-N 3.38Å; S35-K39 WeakPolarHBondContact O-CA 3.41Å; S35-K39 VanDerWaalsContact O-CB 3.29Å; S35-K39 WeakPolarHBondContact O-CB 3.41Å; S35-K39 PolarHBondContact O-N 3.24Å; S35-G40 PolarHBondContact O-N 3.31Å
36T86.2Confident88.1Confident3 Ų338 Ų382%0.01820%0.196CC..Hα-helixtrans-62.9-40.6176.2-52.50000111.2L32 I33 S34 G40 E41 S43 A149 C184L32-T36 WeakPolarHBondContact O-CB 3.46Å; L32-T36 PolarHBondContact O-N 3.07Å; L32-T36 PolarHBondContact O-OG1 3.04Å; I33-T36 WeakPolarHBondContact O-CB 3.31Å; I33-T36 PolarHBondContact O-N 2.9Å; S34-T36 VanDerWaalsContact C-N 3.34Å; S34-T36 PolarHBondContact O-N 3.48Å; T36-G40 WeakPolarHBondContact O-CA 3.44Å; T36-G40 PolarHBondContact O-N 2.87Å; T36-E41 WeakPolarHBondContact CA-O 3.33Å; T36-E41 PolarHBondContact OG1-O 3.45Å; T36-S43 PolarHBondContact OG1-OG 2.86Å; T36-A149 HydrophobicContact CG2-CB 4.36Å; T36-C184 HydrophobicContact CG2-CB 3.9Å
37V83.4Confident88.4Confident21 Ų2137.6 Ų37.613%0.12719%0.194CC..Hα-helixtrans-76.1-48.9-179.5178.60000111.7I33 S34 S35 I72 I76 A149I33-V37 WeakPolarHBondContact O-CG2 3.35Å; I33-V37 PolarHBondContact O-N 3.38Å; S34-V37 PolarHBondContact O-N 3.3Å; S35-V37 VanDerWaalsContact C-N 3.32Å; S35-V37 PolarHBondContact O-N 3.38Å; V37-I72 HydrophobicContact CB-CG1 4.25Å; V37-I72 HydrophobicContact CB-CG2 4.44Å; V37-I72 HydrophobicContact CG1-CB 4.29Å; V37-I72 HydrophobicContact CG1-CG1 3.94Å; V37-I72 HydrophobicContact CG1-CG2 4.1Å; V37-I72 HydrophobicContact CG2-CG2 4.07Å; V37-I76 HydrophobicContact CG2-CD1 4.22Å; V37-I76 HydrophobicContact CG2-CG1 3.89Å; V37-A149 HydrophobicContact CB-CB 4.5Å; V37-A149 HydrophobicContact CG2-CB 3.8Å
38S83Confident88.5Confident83 Ų8331.4 Ų31.458%0.5817%0.167SC*.Hα-helixtrans-79.3-44.9-172.6-59.90000113.2S34S34-S38 WeakPolarHBondContact O-CB 3.08Å; S34-S38 PolarHBondContact O-N 2.82Å; S34-S38 PolarHBondContact O-OG 3.48Å
39K82.3Confident88.4Confident137 Ų13727.1 Ų27.160%0.59615%0.152SC*.THydrogen-bonded Turntrans-93.8-17-177.8-56179.9-178.4171.30112.9S35 E41S35-K39 WeakPolarHBondContact O-CA 3.41Å; S35-K39 VanDerWaalsContact O-CB 3.29Å; S35-K39 WeakPolarHBondContact O-CB 3.41Å; S35-K39 PolarHBondContact O-N 3.24Å; K39-E41 HydrophobicContact CB-CG 3.9Å; K39-E41 HydrophobicContact CD-CG 4.28Å; K39-E41 WeakPolarHBondContact CD-OE1 3.26Å; K39-E41 IonicContact NZ-OE1 3.47Å; K39-E41 PolarHBondContact NZ-OE1 3.17Å
40G79Confident88.4Confident9 Ų936.2 Ų36.29%0.09319%0.186CC..  trans72.118.8-170.600000113.2S35 T36 S42 S181S35-G40 PolarHBondContact O-N 3.31Å; T36-G40 WeakPolarHBondContact O-CA 3.44Å; T36-G40 PolarHBondContact O-N 2.87Å; G40-S42 PolarHBondContact O-N 2.95Å; G40-S181 VanDerWaalsContact O-O 3.13Å
41E83.9Confident88.4Confident88 Ų8842.2 Ų42.241%0.41121%0.207SC..  trans-73.1107.1177-73.8176.8-164.600109.7T36 K39T36-E41 WeakPolarHBondContact CA-O 3.33Å; T36-E41 PolarHBondContact OG1-O 3.45Å; K39-E41 HydrophobicContact CB-CG 3.9Å; K39-E41 HydrophobicContact CD-CG 4.28Å; K39-E41 WeakPolarHBondContact CD-OE1 3.26Å; K39-E41 IonicContact NZ-OE1 3.47Å; K39-E41 PolarHBondContact NZ-OE1 3.17Å
42S86.7Confident88.2Confident28 Ų2839.8 Ų39.820%0.19620%0.199CC..  trans-65.1137.4170.6-83.40000111.6G40 C176 S181 I183G40-S42 PolarHBondContact O-N 2.95Å; S42-C176 WeakPolarHBondContact CB-O 3.35Å; S42-S181 PolarHBondContact OG-O 3.22Å; S42-S181 PolarHBondContact OG-OG 2.83Å; S42-I183 VanDerWaalsContact CA-O 3.25Å; S42-I183 WeakPolarHBondContact CA-O 3.37Å; S42-I183 WeakPolarHBondContact CB-O 3.45Å; S42-I183 PolarHBondContact OG-N 2.88Å; S42-I183 PolarHBondContact OG-O 3.44Å
43S88.5Confident88.1Confident4 Ų439.2 Ų39.23%0.02820%0.197CC..EExtended strand (participates in β ladder)trans-141.9144.3-178.461.70000111.9T36 I183 C184 I185T36-S43 PolarHBondContact OG1-OG 2.86Å; S43-I183 PolarHBondContact N-O 3.44Å; S43-I183 VanDerWaalsContact N-O 3.08Å; S43-C184 CarbonylContact O-C 3.6Å; S43-C184 VanDerWaalsContact O-CA 3.25Å; S43-C184 WeakPolarHBondContact O-CA 3.34Å; S43-I185 PolarHBondContact O-N 3.11Å
44S91.7Very high88.1Confident2 Ų240 Ų401%0.01421%0.206CC..EExtended strand (participates in β ladder)trans-118.8136.2171.750.50000109.1I185 F206 S207S44-I185 CarbonylContact C-O 3.56Å; S44-I185 WeakPolarHBondContact CA-O 3.45Å; S44-F206 WeakPolarHBondContact OG-CD2 3.25Å; S44-S207 PolarHBondContact O-OG 3.33Å; S44-S207 WeakPolarHBondContact OG-CB 3.36Å; S44-S207 PolarHBondContact OG-N 3.4Å
45I94Very high88.2Confident1 Ų140 Ų401%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-143.2143-178-174161.5000110.5Y28 L29 L32 I185 I186 G187 R209 I211Y28-I45 HydrophobicContact CD1-CD1 4.22Å; Y28-I45 HydrophobicContact CE1-CD1 3.65Å; L29-I45 HydrophobicContact CD1-CG2 4.43Å; L32-I45 HydrophobicContact CD1-CD1 3.43Å; L32-I45 VanDerWaalsContact CD1-CD1 3.43Å; I45-I185 PolarHBondContact N-O 3.49Å; I45-I186 HydrophobicContact CG2-CB 4.17Å; I45-I186 HydrophobicContact CG2-CG1 3.73Å; I45-I186 HydrophobicContact CG2-CG2 4.14Å; I45-I186 CarbonylContact O-C 3.38Å; I45-I186 WeakPolarHBondContact O-CA 3.44Å; I45-G187 PolarHBondContact O-N 3.4Å; I45-R209 WeakPolarHBondContact CA-O 3.5Å; I45-R209 HydrophobicContact CB-CB 4.3Å; I45-R209 HydrophobicContact CD1-CB 4.33Å; I45-R209 HydrophobicContact CG1-CB 4.09Å; I45-I211 HydrophobicContact CD1-CD1 3.58Å; I45-I211 HydrophobicContact CD1-CG1 3.83Å; I45-I211 HydrophobicContact CG1-CD1 4.45Å; I45-I211 HydrophobicContact CG1-CG1 4.46Å
46L94.1Very high88.3Confident1 Ų143.3 Ų43.31%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-111.2128.5173.8-65.7174.6000110.2I48 F157 G187 I194 M195 F206 R209 Q210 I211L46-I48 HydrophobicContact CB-CG1 4.37Å; L46-F157 HydrophobicContact CD1-CE1 4.4Å; L46-F157 HydrophobicContact CD2-CD1 3.85Å; L46-F157 HydrophobicContact CD2-CD2 4.06Å; L46-F157 HydrophobicContact CD2-CE1 3.84Å; L46-F157 HydrophobicContact CD2-CE2 4.02Å; L46-F157 HydrophobicContact CD2-CG 3.97Å; L46-F157 HydrophobicContact CD2-CZ 3.93Å; L46-G187 CarbonylContact C-O 3.57Å; L46-G187 WeakPolarHBondContact CA-O 3.45Å; L46-I194 HydrophobicContact CD1-CG2 4.33Å; L46-M195 HydrophobicContact CD1-SD 4.05Å; L46-F206 HydrophobicContact CB-CZ 4.11Å; L46-F206 HydrophobicContact CD1-CE1 3.97Å; L46-F206 HydrophobicContact CD1-CE2 4.09Å; L46-F206 HydrophobicContact CD1-CZ 3.6Å; L46-F206 HydrophobicContact CG-CE1 4.35Å; L46-F206 HydrophobicContact CG-CE2 3.74Å; L46-F206 HydrophobicContact CG-CZ 3.49Å; L46-F206 VanDerWaalsContact CG-CZ 3.49Å; L46-R209 PolarHBondContact N-O 3.49Å; L46-Q210 HydrophobicContact CB-CG 4.34Å; L46-Q210 CarbonylContact O-C 3.52Å; L46-Q210 VanDerWaalsContact O-CA 3.25Å; L46-Q210 WeakPolarHBondContact O-CA 3.22Å; L46-I211 PolarHBondContact O-N 3.22Å
47I94.8Very high88.4Confident0 Ų043.9 Ų43.90%022%0.218CC..EExtended strand (participates in β ladder)trans-105.9109.2173.5-54.4-179.3000107.6L29 K55 L58 I59 I186 G187 L188 T189 I211 L213L29-I47 HydrophobicContact CD2-CD1 4.2Å; I47-K55 HydrophobicContact CG2-CB 4.16Å; I47-K55 HydrophobicContact CG2-CG 4.44Å; I47-L58 HydrophobicContact CD1-CD2 4.42Å; I47-I59 HydrophobicContact CD1-CD1 4.11Å; I47-I59 HydrophobicContact CD1-CG1 3.83Å; I47-I186 HydrophobicContact CD1-CG2 3.62Å; I47-I186 HydrophobicContact CG1-CG2 3.98Å; I47-G187 PolarHBondContact N-O 2.87Å; I47-L188 HydrophobicContact CB-CD2 3.71Å; I47-L188 HydrophobicContact CD1-CD2 4.02Å; I47-L188 HydrophobicContact CG1-CD2 4.29Å; I47-L188 HydrophobicContact CG2-CD2 4.13Å; I47-T189 PolarHBondContact O-N 2.83Å; I47-T189 VanDerWaalsContact O-N 3.09Å; I47-I211 CarbonylContact C-O 3.35Å; I47-I211 WeakPolarHBondContact CA-O 3.43Å; I47-I211 HydrophobicContact CG1-CB 4.43Å; I47-I211 HydrophobicContact CG1-CD1 4.4Å; I47-L213 HydrophobicContact CG2-CD1 3.27Å; I47-L213 HydrophobicContact CG2-CG 3.77Å
48I93.5Very high88.8Confident0 Ų042.9 Ų42.90%021%0.212CC..EExtended strand (participates in β ladder)trans-108.4128-172.6-57.6170.4000108.1L46 T189 L192 I194 Q210 I211 Y212 L213L46-I48 HydrophobicContact CB-CG1 4.37Å; I48-T189 HydrophobicContact CB-CG2 4.47Å; I48-T189 HydrophobicContact CG1-CG2 3.88Å; I48-T189 HydrophobicContact CG2-CG2 4.47Å; I48-L192 HydrophobicContact CG2-CD2 3.78Å; I48-I194 HydrophobicContact CD1-CG2 3.82Å; I48-I194 HydrophobicContact CG1-CG2 4.32Å; I48-Q210 HydrophobicContact CD1-CG 4.36Å; I48-I211 PolarHBondContact N-O 3.1Å; I48-Y212 HydrophobicContact CB-CD1 4.02Å; I48-Y212 HydrophobicContact CB-CE1 4.15Å; I48-Y212 HydrophobicContact CD1-CE1 3.85Å; I48-Y212 HydrophobicContact CG2-CD1 4.12Å; I48-Y212 HydrophobicContact CG2-CE1 4.11Å; I48-Y212 CarbonylContact O-C 3.49Å; I48-Y212 WeakPolarHBondContact O-CA 3.44Å; I48-L213 PolarHBondContact O-N 3.04Å
49G91.6Very high89.1Confident6 Ų639 Ų396%0.06218%0.184CC..EExtended strand (participates in β ladder)trans179.3160.4176.400000113.4K55 T189 C190 L213G49-K55 PolarHBondContact O-NZ 3.13Å; G49-T189 PolarHBondContact N-O 3.48Å; G49-T189 VanDerWaalsContact N-O 3.11Å; G49-C190 WeakPolarHBondContact O-CA 3.21Å; G49-C190 WeakPolarHBondContact O-CB 3.42Å; G49-L213 VanDerWaalsContact CA-O 3.32Å; G49-L213 WeakPolarHBondContact CA-O 3.32Å
50R91.5Very high89.5Confident191 Ų19136.8 Ų36.872%0.72118%0.175SC*.  trans-56.7161-178.4-68.3178.968.6164.61.3112.1G52 V53R50-G52 PolarHBondContact O-N 3.49Å; R50-V53 HydrophobicContact CB-CG1 3.91Å; R50-V53 WeakPolarHBondContact O-CG1 3.39Å; R50-V53 VanDerWaalsContact O-CG2 3.32Å; R50-V53 WeakPolarHBondContact O-CG2 3.06Å
51R88.8Confident89.9Confident168 Ų16837.3 Ų37.363%0.63418%0.175SC*.THydrogen-bonded Turntrans-64.4135.3177.1-69.9-175.5167.2-178.4-5.1110.8E156 C190 S312R51-E156 IonicContact CZ-OE1 3.24Å; R51-E156 IonicContact NE-OE1 2.93Å; R51-E156 IonicContact NH2-OE1 2.72Å; R51-E156 PolarHBondContact NH2-OE1 2.83Å; R51-C190 HydrophobicContact CG-CB 4.07Å; R51-S312 PolarHBondContact O-OG 3.46Å
52G86.6Confident90.1Very high23 Ų2333.1 Ų33.124%0.23716%0.155CC..THydrogen-bonded Turntrans75.516.6176.400000116.3R50 G54 S312 I313 K314R50-G52 PolarHBondContact O-N 3.49Å; G52-G54 VanDerWaalsContact C-N 3.29Å; G52-S312 WeakPolarHBondContact CA-OG 3.48Å; G52-S312 PolarHBondContact O-OG 3.3Å; G52-I313 PolarHBondContact O-N 3.45Å; G52-K314 PolarHBondContact O-N 3.42Å
53V87.6Confident90.1Very high3 Ų332 Ų322%0.01815%0.147CC..SBendtrans-78.3-8.6172.7-58.40000114.1R50 K55 L213R50-V53 HydrophobicContact CB-CG1 3.91Å; R50-V53 WeakPolarHBondContact O-CG1 3.39Å; R50-V53 VanDerWaalsContact O-CG2 3.32Å; R50-V53 WeakPolarHBondContact O-CG2 3.06Å; V53-K55 HydrophobicContact CG2-CD 4.16Å; V53-K55 HydrophobicContact CG2-CG 3.45Å; V53-K55 VanDerWaalsContact CG2-CG 3.45Å; V53-L213 HydrophobicContact CG2-CB 3.94Å
54G87.5Confident90Very high22 Ų2237 Ų3723%0.22717%0.168CC..SBendtrans100.118.3-179.100000115.7G52 H56 H57 L58G52-G54 VanDerWaalsContact C-N 3.29Å; G54-H56 VanDerWaalsContact C-N 3.34Å; G54-H56 PolarHBondContact O-N 2.89Å; G54-H57 CarbonylContact O-C 3.51Å; G54-H57 WeakPolarHBondContact O-CA 3.16Å; G54-H57 VanDerWaalsContact O-CB 3.3Å; G54-H57 WeakPolarHBondContact O-CB 3.42Å; G54-H57 PolarHBondContact O-N 2.89Å; G54-L58 PolarHBondContact O-N 2.73Å
55K90.2Very high89.6Confident24 Ų2439.5 Ų39.510%0.10418%0.179CC..Hα-helixtrans-54-46.1-179.3-42.2-174.9-75-153.60113.8I47 G49 V53 H57 L58 I59 L188 T189 L213I47-K55 HydrophobicContact CG2-CB 4.16Å; I47-K55 HydrophobicContact CG2-CG 4.44Å; G49-K55 PolarHBondContact O-NZ 3.13Å; V53-K55 HydrophobicContact CG2-CD 4.16Å; V53-K55 HydrophobicContact CG2-CG 3.45Å; V53-K55 VanDerWaalsContact CG2-CG 3.45Å; K55-H57 VanDerWaalsContact C-N 3.3Å; K55-L58 WeakPolarHBondContact O-CB 3.07Å; K55-L58 PolarHBondContact O-N 3.49Å; K55-I59 PolarHBondContact O-N 3.25Å; K55-L188 HydrophobicContact CB-CD2 3.82Å; K55-T189 PolarHBondContact NZ-O 3.34Å; K55-L213 HydrophobicContact CB-CD1 3.96Å; K55-L213 HydrophobicContact CG-CD1 3.81Å
56H90.2Very high89.2Confident95 Ų9539.4 Ų39.444%0.4418%0.178SC..Hα-helixtrans-69.6-33.1178.1-166.183.2000111.5G54 I59 K60 L188G54-H56 VanDerWaalsContact C-N 3.34Å; G54-H56 PolarHBondContact O-N 2.89Å; H56-I59 PolarHBondContact O-N 3.36Å; H56-K60 PolarHBondContact O-N 3.01Å; H56-L188 HydrophobicContact CB-CD1 4.28Å
57H88.2Confident88.6Confident15 Ų1544 Ų447%0.06920%0.198CC..Hα-helixtrans-66.4-40.3175.3-168.143.9000111.6N15 H17 L19 G54 K55 I59 K60 E61N15-H57 PolarHBondContact O-CE1 3.37Å; N15-H57 PolarHBondContact O-ND1 3.45Å; H17-H57 AromaticContact CD2-CD2 3.85Å; H17-H57 AromaticContact CD2-NE2 3.62Å; H17-H57 AromaticContact CE1-CD2 3.89Å; H17-H57 AromaticContact CE1-NE2 3.97Å; H17-H57 AromaticContact CG-NE2 4Å; H17-H57 AromaticContact NE2-CD2 3.4Å; H17-H57 PolarHBondContact NE2-CD2 3.01Å; H17-H57 AromaticContact NE2-NE2 3.61Å; H17-H57 PolarHBondContact O-CE1 2.92Å; H17-H57 PolarHBondContact O-NE2 2.92Å; L19-H57 HydrophobicContact CD2-CB 4.3Å; L19-H57 WeakPolarHBondContact CD2-CD2 3.4Å; G54-H57 CarbonylContact O-C 3.51Å; G54-H57 WeakPolarHBondContact O-CA 3.16Å; G54-H57 VanDerWaalsContact O-CB 3.3Å; G54-H57 WeakPolarHBondContact O-CB 3.42Å; G54-H57 PolarHBondContact O-N 2.89Å; K55-H57 VanDerWaalsContact C-N 3.3Å; H57-I59 VanDerWaalsContact C-N 3.35Å; H57-I59 PolarHBondContact O-N 3.19Å; H57-K60 PolarHBondContact O-N 3.2Å; H57-E61 PolarHBondContact O-N 3.16Å
58L90.4Very high87.9Confident1 Ų149.9 Ų49.91%0.00523%0.226CC..Hα-helixtrans-54.2-48172.1-175.467.1000112.6L19 F22 E25 L26 L29 I47 G54 K55 A62 L213L19-L58 VanDerWaalsContact CD1-CA 3.49Å; L19-L58 HydrophobicContact CD1-CB 4.3Å; L19-L58 HydrophobicContact CD1-CD1 3.84Å; F22-L58 HydrophobicContact CB-CD1 4.23Å; E25-L58 HydrophobicContact CB-CD2 4.11Å; L26-L58 HydrophobicContact CB-CD1 3.75Å; L26-L58 HydrophobicContact CD1-CD1 4.45Å; L26-L58 HydrophobicContact CG-CD1 4.5Å; L29-L58 HydrophobicContact CD2-CG 4.25Å; I47-L58 HydrophobicContact CD1-CD2 4.42Å; G54-L58 PolarHBondContact O-N 2.73Å; K55-L58 WeakPolarHBondContact O-CB 3.07Å; K55-L58 PolarHBondContact O-N 3.49Å; L58-A62 VanDerWaalsContact O-CB 3.29Å; L58-A62 WeakPolarHBondContact O-CB 3.45Å; L58-A62 PolarHBondContact O-N 3.43Å; L58-L213 HydrophobicContact CD2-CD1 3.76Å; L58-L213 HydrophobicContact CD2-CD2 3.9Å; L58-L213 HydrophobicContact CD2-CG 4.37Å
59I90.9Very high87.2Confident1 Ų152.7 Ų52.71%0.00524%0.241CC..Hα-helixtrans-63.6-48.3177.8-64.6177.6000110.6L29 I47 K55 H56 H57 E61 A62 I63 V153 I186 L188L29-I59 HydrophobicContact CD2-CG1 4.15Å; I47-I59 HydrophobicContact CD1-CD1 4.11Å; I47-I59 HydrophobicContact CD1-CG1 3.83Å; K55-I59 PolarHBondContact O-N 3.25Å; H56-I59 PolarHBondContact O-N 3.36Å; H57-I59 VanDerWaalsContact C-N 3.35Å; H57-I59 PolarHBondContact O-N 3.19Å; I59-E61 VanDerWaalsContact C-N 3.32Å; I59-E61 PolarHBondContact O-N 3.47Å; I59-A62 PolarHBondContact O-N 3.46Å; I59-I63 HydrophobicContact CG2-CD1 3.57Å; I59-I63 HydrophobicContact CG2-CG1 4.22Å; I59-I63 WeakPolarHBondContact O-CB 3.49Å; I59-I63 VanDerWaalsContact O-CG1 3.24Å; I59-I63 WeakPolarHBondContact O-CG1 3.21Å; I59-I63 PolarHBondContact O-N 3.31Å; I59-V153 HydrophobicContact CD1-CG1 3.73Å; I59-V153 HydrophobicContact CD1-CG2 4.44Å; I59-V153 HydrophobicContact CG2-CG2 4Å; I59-I186 HydrophobicContact CD1-CB 4.25Å; I59-I186 HydrophobicContact CD1-CD1 4.45Å; I59-I186 HydrophobicContact CD1-CG2 3.46Å; I59-I186 VanDerWaalsContact CD1-CG2 3.46Å; I59-I186 HydrophobicContact CG1-CD1 4.41Å; I59-I186 HydrophobicContact CG1-CG2 4.11Å; I59-I186 HydrophobicContact CG2-CD1 4.31Å; I59-L188 HydrophobicContact CD1-CD1 3.89Å; I59-L188 HydrophobicContact CD1-CD2 3.47Å; I59-L188 VanDerWaalsContact CD1-CD2 3.47Å; I59-L188 HydrophobicContact CD1-CG 3.79Å; I59-L188 HydrophobicContact CG1-CD2 4.36Å
60K89.2Confident86Confident90 Ų9058 Ų5839%0.39127%0.274SS..Hα-helixtrans-59.8-42.2-178.4-172.2179.9178.5-176.90111.8G14 H56 H57 K64G14-K60 PolarHBondContact O-NZ 3.38Å; H56-K60 PolarHBondContact O-N 3.01Å; H57-K60 PolarHBondContact O-N 3.2Å; K60-K64 WeakPolarHBondContact O-CB 3.39Å; K60-K64 PolarHBondContact O-N 3.35Å
61E87.3Confident84.7Confident20 Ų2055.8 Ų55.89%0.09328%0.277CS..Hα-helixtrans-70.5-41.1177.1-163.6180138.300112.1L19 L26 H57 I59 I63 K64 K65L19-E61 WeakPolarHBondContact CB-OE2 3.11Å; L19-E61 HydrophobicContact CD1-CB 3.48Å; L19-E61 VanDerWaalsContact CD1-CB 3.48Å; L19-E61 HydrophobicContact CD1-CG 4.09Å; L19-E61 WeakPolarHBondContact CD1-OE2 3.03Å; L19-E61 HydrophobicContact CG-CB 4.42Å; L19-E61 WeakPolarHBondContact CG-OE2 3.27Å; L19-E61 PolarHBondContact N-OE2 3.36Å; L26-E61 HydrophobicContact CD1-CB 3.98Å; L26-E61 HydrophobicContact CD1-CG 3.75Å; L26-E61 VanDerWaalsContact CD1-OE1 3.25Å; L26-E61 WeakPolarHBondContact CD1-OE1 3.38Å; H57-E61 PolarHBondContact O-N 3.16Å; I59-E61 VanDerWaalsContact C-N 3.32Å; I59-E61 PolarHBondContact O-N 3.47Å; E61-I63 VanDerWaalsContact C-N 3.33Å; E61-I63 PolarHBondContact O-N 2.84Å; E61-K64 PolarHBondContact O-N 2.74Å; E61-K65 HydrophobicContact CG-CD 4.42Å; E61-K65 PolarHBondContact O-N 3.09Å; E61-K65 WeakPolarHBondContact OE1-CE 3.43Å; E61-K65 IonicContact OE1-NZ 2.61Å; E61-K65 PolarHBondContact OE1-NZ 2.98Å
62A88.7Confident83.7Confident0 Ų048.1 Ų48.10%025%0.248CC..Hα-helixtrans-61.4-41.417600000111.9L29 I33 L58 I59 A66L29-A62 HydrophobicContact CB-CB 4.15Å; L29-A62 HydrophobicContact CD2-CB 3.64Å; L29-A62 HydrophobicContact CG-CB 3.83Å; I33-A62 HydrophobicContact CD1-CB 4.19Å; L58-A62 VanDerWaalsContact O-CB 3.29Å; L58-A62 WeakPolarHBondContact O-CB 3.45Å; L58-A62 PolarHBondContact O-N 3.43Å; I59-A62 PolarHBondContact O-N 3.46Å; A62-A66 VanDerWaalsContact O-CB 3.25Å; A62-A66 WeakPolarHBondContact O-CB 3.47Å; A62-A66 PolarHBondContact O-N 2.92Å
63I87.9Confident82.2Confident6 Ų649.4 Ų49.43%0.03126%0.262CS..Hα-helixtrans-63.9-44.5173.6-67.8168.8000110.8I33 I59 E61 A66 K67 E78 L151I33-I63 HydrophobicContact CD1-CG1 4.28Å; I59-I63 HydrophobicContact CG2-CD1 3.57Å; I59-I63 HydrophobicContact CG2-CG1 4.22Å; I59-I63 WeakPolarHBondContact O-CB 3.49Å; I59-I63 VanDerWaalsContact O-CG1 3.24Å; I59-I63 WeakPolarHBondContact O-CG1 3.21Å; I59-I63 PolarHBondContact O-N 3.31Å; E61-I63 VanDerWaalsContact C-N 3.33Å; E61-I63 PolarHBondContact O-N 2.84Å; I63-A66 PolarHBondContact O-N 3Å; I63-K67 HydrophobicContact CG2-CD 4.12Å; I63-K67 HydrophobicContact CG2-CG 4.42Å; I63-K67 WeakPolarHBondContact O-CG 3.38Å; I63-K67 PolarHBondContact O-N 3.42Å; I63-E78 HydrophobicContact CD1-CG 4.45Å; I63-E78 VanDerWaalsContact CG2-OE1 3.24Å; I63-E78 WeakPolarHBondContact CG2-OE1 3.4Å; I63-L151 HydrophobicContact CD1-CD2 3.41Å; I63-L151 VanDerWaalsContact CD1-CD2 3.41Å; I63-L151 HydrophobicContact CG1-CD2 3.53Å
64K85.1Confident81Confident107 Ų10754.5 Ų54.547%0.46530%0.298SS..Hα-helixtrans-58.3-50.4178.6-175.9-172.9172.2-167.70110.9K60 E61 A66 K67 E68K60-K64 WeakPolarHBondContact O-CB 3.39Å; K60-K64 PolarHBondContact O-N 3.35Å; E61-K64 PolarHBondContact O-N 2.74Å; K64-A66 PolarHBondContact O-N 2.56Å; K64-K67 PolarHBondContact O-N 3.12Å; K64-E68 WeakPolarHBondContact CE-OE1 3.34Å; K64-E68 WeakPolarHBondContact O-CG 3.36Å; K64-E68 PolarHBondContact O-N 3.47Å; K64-E68 VanDerWaalsContact O-N 3.1Å
65K84.5Confident80.3Confident55 Ų5554.1 Ų54.124%0.23929%0.294CS..Hα-helixtrans-62.8-41.2177.2-76.6174168.5163.10112.3L26 E61 K67 E68 D69L26-K65 HydrophobicContact CD1-CD 4.16Å; L26-K65 HydrophobicContact CD2-CD 3.65Å; L26-K65 VanDerWaalsContact CD2-NZ 3.29Å; L26-K65 HydrophobicContact CG-CD 4.38Å; E61-K65 HydrophobicContact CG-CD 4.42Å; E61-K65 PolarHBondContact O-N 3.09Å; E61-K65 WeakPolarHBondContact OE1-CE 3.43Å; E61-K65 IonicContact OE1-NZ 2.61Å; E61-K65 PolarHBondContact OE1-NZ 2.98Å; K65-K67 VanDerWaalsContact C-N 3.28Å; K65-K67 PolarHBondContact O-N 2.95Å; K65-E68 WeakPolarHBondContact O-CB 3.41Å; K65-E68 PolarHBondContact O-N 3.34Å; K65-D69 PolarHBondContact O-N 3.47Å
66A83.7Confident79.8Confident0 Ų054.3 Ų54.30%030%0.295CS..Hα-helixtrans-64.9-29.6175.500000113I33 A62 I63 K64 I72I33-A66 HydrophobicContact CB-CB 4.46Å; I33-A66 HydrophobicContact CG2-CB 3.81Å; A62-A66 VanDerWaalsContact O-CB 3.25Å; A62-A66 WeakPolarHBondContact O-CB 3.47Å; A62-A66 PolarHBondContact O-N 2.92Å; I63-A66 PolarHBondContact O-N 3Å; K64-A66 PolarHBondContact O-N 2.56Å; A66-I72 VanDerWaalsContact O-CB 3.27Å; A66-I72 WeakPolarHBondContact O-CB 3.33Å; A66-I72 VanDerWaalsContact O-CG2 3.23Å; A66-I72 WeakPolarHBondContact O-CG2 3.47Å
67K82.4Confident79.5Confident96 Ų9651.1 Ų51.142%0.41728%0.284SS..Hα-helixtrans-77.5-27.8174.7-75.2178.6-179.11780113.5I63 K64 K65 D69 E78I63-K67 HydrophobicContact CG2-CD 4.12Å; I63-K67 HydrophobicContact CG2-CG 4.42Å; I63-K67 WeakPolarHBondContact O-CG 3.38Å; I63-K67 PolarHBondContact O-N 3.42Å; K64-K67 PolarHBondContact O-N 3.12Å; K65-K67 VanDerWaalsContact C-N 3.28Å; K65-K67 PolarHBondContact O-N 2.95Å; K67-D69 PolarHBondContact O-N 2.97Å; K67-E78 WeakPolarHBondContact CE-OE1 3.34Å; K67-E78 IonicContact NZ-OE1 2.95Å; K67-E78 PolarHBondContact NZ-OE1 3.21Å
68E80.8Confident79.5Confident125 Ų12553 Ų5358%0.58429%0.293SS*.Hα-helixtrans-66.4-26.6173.9-72.1168-174.500111.3K64 K65K64-E68 WeakPolarHBondContact CE-OE1 3.34Å; K64-E68 WeakPolarHBondContact O-CG 3.36Å; K64-E68 PolarHBondContact O-N 3.47Å; K64-E68 VanDerWaalsContact O-N 3.1Å; K65-E68 WeakPolarHBondContact O-CB 3.41Å; K65-E68 PolarHBondContact O-N 3.34Å
69D78.1Confident79.5Confident59 Ų5953 Ų5332%0.31629%0.292SS..SBendtrans-65.6120.3173.7-71.6-36.9000110.9Q30 K65 K67 N71 I72Q30-D69 PolarHBondContact NE2-OD2 2.93Å; K65-D69 PolarHBondContact O-N 3.47Å; K67-D69 PolarHBondContact O-N 2.97Å; D69-N71 PolarHBondContact O-N 2.99Å; D69-I72 HydrophobicContact CB-CD1 4.03Å; D69-I72 HydrophobicContact CB-CG1 4.37Å; D69-I72 PolarHBondContact O-N 3.4Å
70P66.2Low79.7Confident118 Ų11856.6 Ų56.677%0.76631%0.307SS*.THydrogen-bonded Turntrans-62.4-23.4-172.624.1-34.5000113.4I72P70-I72 PolarHBondContact O-N 3.02Å
71N64.7Low79.9Confident143 Ų14352.3 Ų52.377%0.76529%0.288SS*.THydrogen-bonded Turntrans-71.8-16.6178.8-65.4-29.5000113.5D69D69-N71 PolarHBondContact O-N 2.99Å
72I66.8Low80.2Confident7 Ų754 Ų544%0.03630%0.298CS..THydrogen-bonded Turntrans-114.9-17.8-167.1-62.6175.1000112.2V37 A66 D69 P70 S74 G75 I76V37-I72 HydrophobicContact CB-CG1 4.25Å; V37-I72 HydrophobicContact CB-CG2 4.44Å; V37-I72 HydrophobicContact CG1-CB 4.29Å; V37-I72 HydrophobicContact CG1-CG1 3.94Å; V37-I72 HydrophobicContact CG1-CG2 4.1Å; V37-I72 HydrophobicContact CG2-CG2 4.07Å; A66-I72 VanDerWaalsContact O-CB 3.27Å; A66-I72 WeakPolarHBondContact O-CB 3.33Å; A66-I72 VanDerWaalsContact O-CG2 3.23Å; A66-I72 WeakPolarHBondContact O-CG2 3.47Å; D69-I72 HydrophobicContact CB-CD1 4.03Å; D69-I72 HydrophobicContact CB-CG1 4.37Å; D69-I72 PolarHBondContact O-N 3.4Å; P70-I72 PolarHBondContact O-N 3.02Å; I72-S74 VanDerWaalsContact C-N 3.3Å; I72-S74 PolarHBondContact O-N 2.97Å; I72-G75 PolarHBondContact O-N 3.46Å; I72-I76 HydrophobicContact CG2-CD1 3.41Å; I72-I76 VanDerWaalsContact CG2-CD1 3.41Å; I72-I76 HydrophobicContact CG2-CG1 3.85Å
73G55.9Low80.3Confident51 Ų5154.1 Ų54.153%0.52630%0.299SS..THydrogen-bonded Turntrans-50.4-21.2-152.900000120.3
74S62.3Low80.4Confident110 Ų11059.3 Ų59.377%0.76933%0.327SS*.THydrogen-bonded Turntrans-130.37.4177.363.10000114.2I72I72-S74 VanDerWaalsContact C-N 3.3Å; I72-S74 PolarHBondContact O-N 2.97Å
75G73.2Confident80.7Confident14 Ų1459 Ų5914%0.14433%0.333CS..  trans-88.7-8.4-171.300000115.6I72 K148 A149I72-G75 PolarHBondContact O-N 3.46Å; G75-K148 CarbonylContact O-C 3.55Å; G75-K148 VanDerWaalsContact O-C 3.32Å; G75-K148 WeakPolarHBondContact O-CA 3.4Å; G75-K148 VanDerWaalsContact O-CB 3.24Å; G75-K148 WeakPolarHBondContact O-CB 3.39Å; G75-A149 PolarHBondContact O-N 3.42Å
76I79.1Confident80.9Confident27 Ų2757.1 Ų57.114%0.13833%0.325CS..EExtended strand (participates in β ladder)trans-101.2123.9-171.5-56.6171.3000110.7I33 V37 I72 E78 A149 L151I33-I76 HydrophobicContact CG2-CD1 4.09Å; V37-I76 HydrophobicContact CG2-CD1 4.22Å; V37-I76 HydrophobicContact CG2-CG1 3.89Å; I72-I76 HydrophobicContact CG2-CD1 3.41Å; I72-I76 VanDerWaalsContact CG2-CD1 3.41Å; I72-I76 HydrophobicContact CG2-CG1 3.85Å; I76-E78 HydrophobicContact CG2-CG 4.03Å; I76-A149 WeakPolarHBondContact CA-O 3.37Å; I76-L151 HydrophobicContact CG2-CB 4.05Å
77S84.8Confident81.1Confident29 Ų2961.3 Ų61.320%0.20335%0.351CS..EExtended strand (participates in β ladder)trans-101.8114.1166.9-55.10000109A149 I150 L151S77-A149 PolarHBondContact N-O 2.9Å; S77-I150 WeakPolarHBondContact O-CA 3.44Å; S77-L151 PolarHBondContact O-N 2.96Å
78E88.1Confident81.3Confident54 Ų5461.1 Ų61.125%0.25236%0.355SS..EExtended strand (participates in β ladder)trans-92.4132.7-179.5-64168.9-143.100110.6I63 K67 I76 Y80 L151I63-E78 HydrophobicContact CD1-CG 4.45Å; I63-E78 VanDerWaalsContact CG2-OE1 3.24Å; I63-E78 WeakPolarHBondContact CG2-OE1 3.4Å; K67-E78 WeakPolarHBondContact CE-OE1 3.34Å; K67-E78 IonicContact NZ-OE1 2.95Å; K67-E78 PolarHBondContact NZ-OE1 3.21Å; I76-E78 HydrophobicContact CG2-CG 4.03Å; E78-Y80 HydrophobicContact CB-CD2 4.48Å; E78-Y80 HydrophobicContact CB-CE2 3.72Å; E78-Y80 WeakPolarHBondContact OE2-CE2 3.3Å; E78-Y80 PolarHBondContact OE2-OH 3.32Å; E78-L151 CarbonylContact C-O 3.55Å; E78-L151 WeakPolarHBondContact CA-O 3.21Å; E78-L151 HydrophobicContact CG-CD2 4.47Å
79V90.4Very high81.5Confident0 Ų055.5 Ų55.50%033%0.329CS..EExtended strand (participates in β ladder)trans-126.6127175.1-179.80000108.6L81 L96 Q99 L100 I150 L151 I152 V153V79-L81 HydrophobicContact CG1-CD2 4.4Å; V79-L81 HydrophobicContact CG1-CG 4.36Å; V79-L96 HydrophobicContact CG1-CD2 4.33Å; V79-L96 HydrophobicContact CG1-CG 4.14Å; V79-Q99 VanDerWaalsContact CA-OE1 3.31Å; V79-Q99 HydrophobicContact CG1-CB 4.16Å; V79-Q99 HydrophobicContact CG2-CB 4.29Å; V79-L100 HydrophobicContact CG2-CD2 3.49Å; V79-L100 VanDerWaalsContact CG2-CD2 3.49Å; V79-L100 HydrophobicContact CG2-CG 3.9Å; V79-I150 HydrophobicContact CG2-CG2 4.39Å; V79-L151 PolarHBondContact N-O 3.05Å; V79-I152 HydrophobicContact CB-CG1 4.34Å; V79-I152 CarbonylContact O-C 3.58Å; V79-I152 WeakPolarHBondContact O-CA 3.46Å; V79-V153 PolarHBondContact O-N 3.24Å
80Y94Very high81.8Confident77 Ų7761.7 Ų61.730%0.30235%0.347SS..EExtended strand (participates in β ladder)trans-114.3120179.3-63.9-88000110E78 Q99 V153E78-Y80 HydrophobicContact CB-CD2 4.48Å; E78-Y80 HydrophobicContact CB-CE2 3.72Å; E78-Y80 WeakPolarHBondContact OE2-CE2 3.3Å; E78-Y80 PolarHBondContact OE2-OH 3.32Å; Y80-Q99 PolarHBondContact O-NE2 3.16Å; Y80-V153 HydrophobicContact CD1-CB 3.65Å; Y80-V153 HydrophobicContact CD1-CG1 4.02Å; Y80-V153 HydrophobicContact CD1-CG2 4.1Å; Y80-V153 HydrophobicContact CE1-CB 3.89Å; Y80-V153 HydrophobicContact CE1-CG1 4.22Å; Y80-V153 HydrophobicContact CE1-CG2 3.81Å
81L93.7Very high82.9Confident1 Ų158 Ų581%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-115.4143.8172.4-57.1177.9000109.5V79 H86 L96 I152 V153 L154 S155 F160V79-L81 HydrophobicContact CG1-CD2 4.4Å; V79-L81 HydrophobicContact CG1-CG 4.36Å; L81-H86 VanDerWaalsContact CD2-CE1 3.42Å; L81-H86 WeakPolarHBondContact CD2-CE1 3.48Å; L81-L96 HydrophobicContact CD1-CD1 4.38Å; L81-L96 HydrophobicContact CD1-CG 4.43Å; L81-L96 HydrophobicContact CD2-CB 4.48Å; L81-I152 HydrophobicContact CD1-CG2 4.44Å; L81-V153 PolarHBondContact N-O 3.15Å; L81-L154 HydrophobicContact CB-CD2 3.78Å; L81-L154 HydrophobicContact CD1-CD2 3.69Å; L81-L154 HydrophobicContact CG-CD2 4.14Å; L81-S155 PolarHBondContact O-N 3.44Å; L81-F160 HydrophobicContact CB-CZ 4.12Å
82N94.1Very high83.9Confident54 Ų5451.1 Ų51.129%0.28929%0.288SS..EExtended strand (participates in β ladder)trans-127.9124.4179.1-175.5-12.1000110L84 V85 H86N82-L84 PolarHBondContact O-N 2.9Å; N82-L84 PolarHBondContact OD1-N 2.92Å; N82-V85 HydrophobicContact CB-CB 4.48Å; N82-V85 HydrophobicContact CB-CG2 4.28Å; N82-V85 PolarHBondContact O-N 3.28Å; N82-V85 VanDerWaalsContact O-N 3.11Å; N82-H86 PolarHBondContact N-ND1 3.43Å; N82-H86 PolarHBondContact O-N 3.24Å; N82-H86 PolarHBondContact O-ND1 3.17Å
83G90.9Very high84.7Confident4 Ų451 Ų514%0.04129%0.287CS..THydrogen-bonded Turntrans-65.4-20.2-178.700000114.2S155 F160G83-S155 PolarHBondContact N-O 2.99Å; G83-F160 VanDerWaalsContact CA-CZ 3.48Å; G83-F160 VanDerWaalsContact N-CE2 3.3Å; G83-F160 VanDerWaalsContact N-CZ 3.34Å
84L90.4Very high86Confident115 Ų11552.6 Ų52.660%0.60228%0.28SS*.THydrogen-bonded Turntrans-75.7-26.7173.9-68.5170.6000113.1N82 E156 L159N82-L84 PolarHBondContact O-N 2.9Å; N82-L84 PolarHBondContact OD1-N 2.92Å; L84-E156 HydrophobicContact CD1-CG 4.29Å; L84-E156 HydrophobicContact CG-CG 4.33Å; L84-L159 HydrophobicContact CD2-CD1 3.57Å; L84-L159 HydrophobicContact CG-CD1 3.83Å
85V90.7Very high87.2Confident99 Ų9948.6 Ų48.660%0.625%0.251SS*.THydrogen-bonded Turntrans-94.7-40.4180179.90000110.2N82 T87N82-V85 HydrophobicContact CB-CB 4.48Å; N82-V85 HydrophobicContact CB-CG2 4.28Å; N82-V85 PolarHBondContact O-N 3.28Å; N82-V85 VanDerWaalsContact O-N 3.11Å; V85-T87 PolarHBondContact O-N 3.4Å
86H89.3Confident87.7Confident17 Ų1748 Ų488%0.07925%0.245CC..  trans-96.980.3-178.4-53.2137.1000110.3L81 N82 D88 S91 A92 S95 F160L81-H86 VanDerWaalsContact CD2-CE1 3.42Å; L81-H86 WeakPolarHBondContact CD2-CE1 3.48Å; N82-H86 PolarHBondContact N-ND1 3.43Å; N82-H86 PolarHBondContact O-N 3.24Å; N82-H86 PolarHBondContact O-ND1 3.17Å; H86-D88 PolarHBondContact O-N 2.8Å; H86-S91 VanDerWaalsContact CA-OG 3.23Å; H86-S91 WeakPolarHBondContact CA-OG 3.4Å; H86-A92 HydrophobicContact CB-CB 3.88Å; H86-S95 PolarHBondContact CE1-OG 3.48Å; H86-S95 WeakPolarHBondContact NE2-CB 3.43Å; H86-S95 PolarHBondContact NE2-OG 2.96Å; H86-S95 VanDerWaalsContact NE2-OG 3.14Å; H86-F160 HydrophobicContact CB-CE1 4.05Å; H86-F160 HydrophobicContact CB-CZ 4.34Å
87T87Confident87.8Confident87 Ų8746.8 Ų46.853%0.53424%0.239SC..  trans-72.2-16-179.754.50000113.8V85 H163V85-T87 PolarHBondContact O-N 3.4Å; T87-H163 PolarHBondContact O-CE1 3.43Å; T87-H163 PolarHBondContact O-ND1 2.93Å
88D86.9Confident87.7Confident93 Ų9352.2 Ų52.250%0.49726%0.259SS..SBendtrans-133.8147179.8-63.2-60.1000111.1H86 R90 S91 A92H86-D88 PolarHBondContact O-N 2.8Å; D88-R90 PolarHBondContact O-N 3.41Å; D88-R90 VanDerWaalsContact O-N 3.08Å; D88-S91 PolarHBondContact N-OG 2.93Å; D88-S91 PolarHBondContact O-N 3.19Å; D88-S91 PolarHBondContact O-OG 3.11Å; D88-A92 PolarHBondContact O-N 2.86Å; D88-A92 VanDerWaalsContact O-N 3.17Å
89D86.3Confident87.5Confident7 Ų752.6 Ų52.64%0.03726%0.261CS..Hα-helixtrans-54.6-33.4178.2-68-27.7000112.8A92 M93 F129 H163 L168D89-A92 PolarHBondContact O-N 3.02Å; D89-M93 PolarHBondContact O-N 3.47Å; D89-F129 HydrophobicContact CB-CE1 3.47Å; D89-F129 VanDerWaalsContact CB-CE1 3.47Å; D89-F129 HydrophobicContact CB-CZ 3.6Å; D89-F129 WeakPolarHBondContact O-CZ 3.41Å; D89-H163 IonicContact OD1-CD2 2.8Å; D89-H163 PolarHBondContact OD1-CD2 3.26Å; D89-H163 VanDerWaalsContact OD1-CD2 3.32Å; D89-H163 IonicContact OD1-CG 3.92Å; D89-L168 HydrophobicContact CB-CB 4.31Å; D89-L168 VanDerWaalsContact OD1-CB 3.26Å; D89-L168 WeakPolarHBondContact OD1-CB 3.34Å
90R84.4Confident86.9Confident188 Ų18853.3 Ų53.371%0.70926%0.264SS*.Hα-helixtrans-63.9-43.2176.9-67.9-177.6179.8-170.6-0.5112.5D88 A92 M93 K94 F129D88-R90 PolarHBondContact O-N 3.41Å; D88-R90 VanDerWaalsContact O-N 3.08Å; R90-A92 VanDerWaalsContact C-N 3.33Å; R90-M93 PolarHBondContact O-N 2.93Å; R90-K94 PolarHBondContact O-N 3.3Å; R90-F129 HydrophobicContact CB-CE2 4.25Å; R90-F129 HydrophobicContact CG-CD2 3.89Å; R90-F129 HydrophobicContact CG-CE2 3.66Å; R90-F129 HydrophobicContact CG-CZ 4.3Å
91S87.4Confident85.5Confident40 Ų4057.3 Ų57.328%0.2829%0.286SS..Hα-helixtrans-66-39.7177.971.30000111.1H86 D88 K94 S95H86-S91 VanDerWaalsContact CA-OG 3.23Å; H86-S91 WeakPolarHBondContact CA-OG 3.4Å; D88-S91 PolarHBondContact N-OG 2.93Å; D88-S91 PolarHBondContact O-N 3.19Å; D88-S91 PolarHBondContact O-OG 3.11Å; S91-K94 PolarHBondContact O-N 3.41Å; S91-S95 PolarHBondContact O-N 2.83Å; S91-S95 VanDerWaalsContact O-N 3.09Å
92A86.9Confident83.8Confident0 Ų058.1 Ų58.10%029%0.29CS..Hα-helixtrans-62.6-47.5175.100000111.5H86 D88 D89 R90 K94 S95 L96 F160 L168H86-A92 HydrophobicContact CB-CB 3.88Å; D88-A92 PolarHBondContact O-N 2.86Å; D88-A92 VanDerWaalsContact O-N 3.17Å; D89-A92 PolarHBondContact O-N 3.02Å; R90-A92 VanDerWaalsContact C-N 3.33Å; A92-K94 PolarHBondContact O-N 3.22Å; A92-S95 PolarHBondContact O-N 3.11Å; A92-L96 WeakPolarHBondContact O-CB 3.35Å; A92-L96 PolarHBondContact O-N 2.87Å; A92-F160 HydrophobicContact CB-CE1 4.32Å; A92-L168 HydrophobicContact CB-CD1 4.49Å; A92-L168 HydrophobicContact CB-CD2 3.57Å
93M83.1Confident81.7Confident4 Ų463.2 Ų63.22%0.0231%0.312CS..Hα-helixtrans-59.4-46.1177.3-176.7-152.7-84.400111.6D89 R90 S95 L96 A97 L109 F129 Q132 L133D89-M93 PolarHBondContact O-N 3.47Å; R90-M93 PolarHBondContact O-N 2.93Å; M93-S95 VanDerWaalsContact C-N 3.28Å; M93-S95 PolarHBondContact O-N 2.84Å; M93-L96 WeakPolarHBondContact O-CB 3.46Å; M93-L96 PolarHBondContact O-N 3.38Å; M93-L96 VanDerWaalsContact O-N 3.15Å; M93-A97 WeakPolarHBondContact O-CB 3.44Å; M93-A97 PolarHBondContact O-N 3.49Å; M93-L109 HydrophobicContact SD-CD1 4.16Å; M93-L109 HydrophobicContact SD-CD2 4.24Å; M93-F129 HydrophobicContact CB-CE2 4.24Å; M93-F129 HydrophobicContact CB-CZ 4.26Å; M93-F129 HydrophobicContact CE-CD2 3.63Å; M93-F129 HydrophobicContact CE-CE2 3.17Å; M93-F129 HydrophobicContact CE-CZ 3.71Å; M93-F129 HydrophobicContact SD-CE2 3.99Å; M93-Q132 HydrophobicContact CE-CB 4.11Å; M93-Q132 HydrophobicContact CE-CG 3.93Å; M93-Q132 HydrophobicContact SD-CG 4.24Å; M93-L133 HydrophobicContact CB-CD2 4Å; M93-L133 HydrophobicContact CE-CB 4Å; M93-L133 HydrophobicContact CE-CD1 4.42Å; M93-L133 HydrophobicContact CE-CD2 3.16Å; M93-L133 HydrophobicContact CE-CG 3.21Å; M93-L133 HydrophobicContact CG-CD2 3.69Å; M93-L133 HydrophobicContact SD-CD2 4.25Å
94K83.4Confident79.7Confident85 Ų8565.7 Ų65.737%0.3733%0.329SS..Hα-helixtrans-59.6-40.4178.7-174.6172.6-179.1166.10112.1R90 S91 A92 K98 L109R90-K94 PolarHBondContact O-N 3.3Å; S91-K94 PolarHBondContact O-N 3.41Å; A92-K94 PolarHBondContact O-N 3.22Å; K94-K98 WeakPolarHBondContact O-CB 3.44Å; K94-K98 PolarHBondContact O-N 2.76Å; K94-L109 HydrophobicContact CB-CD1 4.12Å; K94-L109 HydrophobicContact CG-CB 4.4Å; K94-L109 HydrophobicContact CG-CD1 4.35Å; K94-L109 PolarHBondContact NZ-O 3.25Å
95S86.4Confident77.6Confident25 Ų2560.5 Ų60.518%0.17530%0.301CS..Hα-helixtrans-67.3-41.4175-169.70000112.2H86 S91 A92 M93 K98 Q99H86-S95 PolarHBondContact CE1-OG 3.48Å; H86-S95 WeakPolarHBondContact NE2-CB 3.43Å; H86-S95 PolarHBondContact NE2-OG 2.96Å; H86-S95 VanDerWaalsContact NE2-OG 3.14Å; S91-S95 PolarHBondContact O-N 2.83Å; S91-S95 VanDerWaalsContact O-N 3.09Å; A92-S95 PolarHBondContact O-N 3.11Å; M93-S95 VanDerWaalsContact C-N 3.28Å; M93-S95 PolarHBondContact O-N 2.84Å; S95-K98 PolarHBondContact O-N 2.93Å; S95-Q99 WeakPolarHBondContact O-CG 3.37Å; S95-Q99 PolarHBondContact O-N 3.48Å; S95-Q99 PolarHBondContact OG-NE2 3.01Å
96L85.2Confident75.6Confident2 Ų258.2 Ų58.21%0.0129%0.286CS..Hα-helixtrans-60.9-48.9176.5-151.8178.5000110.8V79 L81 A92 M93 K98 Q99 L100 F136 L172V79-L96 HydrophobicContact CG1-CD2 4.33Å; V79-L96 HydrophobicContact CG1-CG 4.14Å; L81-L96 HydrophobicContact CD1-CD1 4.38Å; L81-L96 HydrophobicContact CD1-CG 4.43Å; L81-L96 HydrophobicContact CD2-CB 4.48Å; A92-L96 WeakPolarHBondContact O-CB 3.35Å; A92-L96 PolarHBondContact O-N 2.87Å; M93-L96 WeakPolarHBondContact O-CB 3.46Å; M93-L96 PolarHBondContact O-N 3.38Å; M93-L96 VanDerWaalsContact O-N 3.15Å; L96-K98 VanDerWaalsContact C-N 3.33Å; L96-K98 PolarHBondContact O-N 2.92Å; L96-Q99 PolarHBondContact O-N 3.24Å; L96-L100 HydrophobicContact CD2-CD1 3.29Å; L96-L100 HydrophobicContact CD2-CG 3.81Å; L96-L100 PolarHBondContact O-N 3.39Å; L96-F136 HydrophobicContact CB-CE1 4.36Å; L96-F136 HydrophobicContact CD1-CE1 4.2Å; L96-F136 HydrophobicContact CD2-CE1 3.67Å; L96-F136 HydrophobicContact CD2-CZ 3.78Å; L96-F136 HydrophobicContact CG-CE1 4.27Å; L96-L172 HydrophobicContact CD1-CD2 4.27Å
97A80.8Confident73.6Confident1 Ų161 Ų611%0.00831%0.307CS..Hα-helixtrans-61-40.7176.500000112.4M93 H101 N102 L105 L109 F136M93-A97 WeakPolarHBondContact O-CB 3.44Å; M93-A97 PolarHBondContact O-N 3.49Å; A97-H101 PolarHBondContact O-N 2.93Å; A97-N102 PolarHBondContact O-N 3.07Å; A97-L105 HydrophobicContact CB-CB 4.33Å; A97-L109 HydrophobicContact CB-CD1 4.43Å; A97-F136 HydrophobicContact CB-CE2 4.03Å; A97-F136 HydrophobicContact CB-CZ 3.95Å
98K83.2Confident71.9Confident143 Ų14358.2 Ų58.262%0.62229%0.289SS*.Hα-helixtrans-62.4-45175.8-171.4178.8177.4-178.80112.3K94 S95 L96 H101 L106K94-K98 WeakPolarHBondContact O-CB 3.44Å; K94-K98 PolarHBondContact O-N 2.76Å; S95-K98 PolarHBondContact O-N 2.93Å; L96-K98 VanDerWaalsContact C-N 3.33Å; L96-K98 PolarHBondContact O-N 2.92Å; K98-H101 PolarHBondContact O-N 3.35Å; K98-L106 HydrophobicContact CB-CD2 3.91Å; K98-L106 HydrophobicContact CG-CD2 4.2Å
99Q83.4Confident70.2Confident63 Ų6356 Ų5629%0.29428%0.277SS..Hα-helixtrans-72.6-29.8-177.5-71.8-178.349.500112.8V79 Y80 S95 L96 H101V79-Q99 VanDerWaalsContact CA-OE1 3.31Å; V79-Q99 HydrophobicContact CG1-CB 4.16Å; V79-Q99 HydrophobicContact CG2-CB 4.29Å; Y80-Q99 PolarHBondContact O-NE2 3.16Å; S95-Q99 WeakPolarHBondContact O-CG 3.37Å; S95-Q99 PolarHBondContact O-N 3.48Å; S95-Q99 PolarHBondContact OG-NE2 3.01Å; L96-Q99 PolarHBondContact O-N 3.24Å; Q99-H101 PolarHBondContact O-N 3.04Å
100L77.2Confident68.5Low14 Ų1459.2 Ų59.27%0.07330%0.296CS..THydrogen-bonded Turntrans-80.65.1174.8-69-177.8000114.1V79 L96 N102 F136 V140 I150V79-L100 HydrophobicContact CG2-CD2 3.49Å; V79-L100 VanDerWaalsContact CG2-CD2 3.49Å; V79-L100 HydrophobicContact CG2-CG 3.9Å; L96-L100 HydrophobicContact CD2-CD1 3.29Å; L96-L100 HydrophobicContact CD2-CG 3.81Å; L96-L100 PolarHBondContact O-N 3.39Å; L100-N102 PolarHBondContact O-N 3.24Å; L100-F136 HydrophobicContact CD1-CZ 3.97Å; L100-V140 HydrophobicContact CD1-CB 4.48Å; L100-V140 HydrophobicContact CD1-CG1 3.89Å; L100-V140 HydrophobicContact CD1-CG2 3.68Å; L100-I150 HydrophobicContact CD2-CD1 4.41Å; L100-I150 HydrophobicContact CD2-CG2 4.14Å
101H64.3Low66.5Low162 Ų16256.7 Ų56.775%0.7529%0.292SS*.THydrogen-bonded Turntrans5530.5-179.9-64.3-78000114.5A97 K98 Q99 E103A97-H101 PolarHBondContact O-N 2.93Å; K98-H101 PolarHBondContact O-N 3.35Å; Q99-H101 PolarHBondContact O-N 3.04Å; H101-E103 VanDerWaalsContact C-N 3.31Å; H101-E103 PolarHBondContact O-N 3.31Å
102N59Low64.6Low17 Ų1760.2 Ų60.29%0.09131%0.314CS..  trans-81.482.8169.3-74.9-3.1000108.8A97 L100 S104 L105 L106 F136A97-N102 PolarHBondContact O-N 3.07Å; L100-N102 PolarHBondContact O-N 3.24Å; N102-S104 PolarHBondContact O-N 3.33Å; N102-L105 HydrophobicContact CB-CD1 4.31Å; N102-L105 PolarHBondContact O-N 2.95Å; N102-L105 VanDerWaalsContact O-N 3.15Å; N102-L106 PolarHBondContact O-N 3.22Å; N102-F136 HydrophobicContact CB-CE2 4.47Å; N102-F136 WeakPolarHBondContact ND2-CE2 3.41Å
103E50Low62.2Low162 Ų16266 Ų6676%0.75735%0.345SS*.Hα-helixtrans-55.6-29.9172.7-74-172.6159.300112H101 L105 L106H101-E103 VanDerWaalsContact C-N 3.31Å; H101-E103 PolarHBondContact O-N 3.31Å; E103-L105 PolarHBondContact O-N 2.94Å; E103-L105 VanDerWaalsContact O-N 3.12Å; E103-L106 PolarHBondContact O-N 3.26Å
104S48.3Very low60Low56 Ų5676.2 Ų76.239%0.39238%0.384SS..Hα-helixtrans-56.6-24.5176.357.10000114.7N102 S107 N108N102-S104 PolarHBondContact O-N 3.33Å; S104-S107 PolarHBondContact O-OG 3.2Å; S104-N108 PolarHBondContact O-ND2 3.14Å
105L46.7Very low58.2Low6 Ų680.3 Ų80.33%0.03141%0.41CS..Hα-helixtrans-108.2-19.9-177.3-67.5172.1000113.6A97 N102 E103 S107 N108 L109 M124 F136A97-L105 HydrophobicContact CB-CB 4.33Å; N102-L105 HydrophobicContact CB-CD1 4.31Å; N102-L105 PolarHBondContact O-N 2.95Å; N102-L105 VanDerWaalsContact O-N 3.15Å; E103-L105 PolarHBondContact O-N 2.94Å; E103-L105 VanDerWaalsContact O-N 3.12Å; L105-S107 VanDerWaalsContact C-N 3.26Å; L105-S107 PolarHBondContact O-N 3.49Å; L105-N108 PolarHBondContact O-N 3.34Å; L105-L109 PolarHBondContact O-N 2.96Å; L105-L109 VanDerWaalsContact O-N 3.11Å; L105-M124 HydrophobicContact CD2-CE 4.39Å; L105-M124 HydrophobicContact CD2-SD 3.93Å; L105-F136 HydrophobicContact CD1-CB 4.14Å; L105-F136 HydrophobicContact CD1-CD2 3Å; L105-F136 HydrophobicContact CD1-CE2 3.52Å; L105-F136 HydrophobicContact CD1-CG 3.87Å
106L48.1Very low56Low51 Ų5183.8 Ų83.827%0.26743%0.434SS..Hα-helixtrans-62.7-36.4173.5-74.7173.5000111.3K98 N102 E103 V110K98-L106 HydrophobicContact CB-CD2 3.91Å; K98-L106 HydrophobicContact CG-CD2 4.2Å; N102-L106 PolarHBondContact O-N 3.22Å; E103-L106 PolarHBondContact O-N 3.26Å; L106-V110 WeakPolarHBondContact O-CB 3.34Å; L106-V110 WeakPolarHBondContact O-CG2 3.49Å; L106-V110 PolarHBondContact O-N 3.18Å
107S48Very low53.9Low75 Ų7590.4 Ų90.452%0.52448%0.475SS..Hα-helixtrans-62.1-44.7172.751.50000112S104 L105 L109S104-S107 PolarHBondContact O-OG 3.2Å; L105-S107 VanDerWaalsContact C-N 3.26Å; L105-S107 PolarHBondContact O-N 3.49Å; S107-L109 PolarHBondContact O-N 3.01Å
108N51.1Low52.1Low29 Ų2993.1 Ų93.116%0.15549%0.494CS..Hα-helixtrans-71.5-28.3-176-62-17.9000113.8S104 L105S104-N108 PolarHBondContact O-ND2 3.14Å; L105-N108 PolarHBondContact O-N 3.34Å
109L50.9Low50.4Low46 Ų4693.7 Ų93.724%0.24150%0.504CS..Hα-helixtrans-95.7-11-176.3-71175.1000114.7M93 K94 A97 L105 S107 Q132M93-L109 HydrophobicContact SD-CD1 4.16Å; M93-L109 HydrophobicContact SD-CD2 4.24Å; K94-L109 HydrophobicContact CB-CD1 4.12Å; K94-L109 HydrophobicContact CG-CB 4.4Å; K94-L109 HydrophobicContact CG-CD1 4.35Å; K94-L109 PolarHBondContact NZ-O 3.25Å; A97-L109 HydrophobicContact CB-CD1 4.43Å; L105-L109 PolarHBondContact O-N 2.96Å; L105-L109 VanDerWaalsContact O-N 3.11Å; S107-L109 PolarHBondContact O-N 3.01Å; L109-Q132 VanDerWaalsContact CD2-NE2 3.35Å
110V51.7Low48.8Very low75 Ų7599.7 Ų99.746%0.45553%0.529SS..Hα-helixtrans-101.4-26.6-173.6178.60000112.8L106L106-V110 WeakPolarHBondContact O-CB 3.34Å; L106-V110 WeakPolarHBondContact O-CG2 3.49Å; L106-V110 PolarHBondContact O-N 3.18Å
111Q41.7Very low47.2Very low134 Ų134103.7 Ų103.763%0.62655%0.547SS*.  trans-141.4111.9-177.6-64.1-179.617.600112.2
112P46.9Very low46.2Very low114 Ų114100.1 Ų100.174%0.7453%0.533SS*.SBendtrans-79.2-3.7163.332.2-31.4000112.7
113D37.1Very low45.8Very low121 Ų121102.5 Ų102.565%0.64755%0.552SS**  trans-110.3122.3-173.9-68.3-32.7000112
114R37.3Very low45.8Very low219 Ų21995.6 Ų95.683%0.82652%0.519SS*.SBendtrans106.388.2160.8-56.1-177.9-177.6-161.30.1117.4S116R114-S116 PolarHBondContact O-N 3.37Å
115N45.1Very low46.1Very low171 Ų17196.7 Ų96.791%0.91452%0.52SS*.  37.643.3129.3-62.9-0.4000119.7
116S39.8Very low46.5Very low99 Ų99103.2 Ų103.269%0.69256%0.555SS**  trans-100112.6162.842.50000110.4R114 S118R114-S116 PolarHBondContact O-N 3.37Å; S116-S118 PolarHBondContact O-N 3.05Å
117T41.4Very low46.9Very low141 Ų141103.8 Ų103.887%0.86556%0.558SS**  trans-65.8100.9-174.648.70000112.4
118S43.1Very low47.8Very low58 Ų58103.6 Ų103.641%0.40656%0.555SS.*  trans-155.7113.9149.859.70000110.6S116 F120 H121S116-S118 PolarHBondContact O-N 3.05Å; S118-F120 PolarHBondContact O-N 3.16Å; S118-F120 VanDerWaalsContact O-N 3.09Å; S118-H121 PolarHBondContact O-N 2.89Å
119D48.3Very low48.4Very low155 Ų155103.7 Ų103.783%0.82955%0.554SS**THydrogen-bonded Turntrans-63-16.5-172.8-64.5-42.4000114.2
120F49.1Very low48.9Very low189 Ų189103.9 Ų103.983%0.82956%0.559SS**THydrogen-bonded Turntrans-75.5-34.7176.8-116.6-92.7000112.9S118 S123S118-F120 PolarHBondContact O-N 3.16Å; S118-F120 VanDerWaalsContact O-N 3.09Å; F120-S123 PolarHBondContact O-OG 3.39Å
121H43.5Very low49.7Very low98 Ų98104.9 Ų104.945%0.45456%0.559SS.*THydrogen-bonded Turntrans-91.4-25.9-170.6-87.9-70.5000114.8S118 S123 M124S118-H121 PolarHBondContact O-N 2.89Å; H121-S123 PolarHBondContact O-N 2.86Å; H121-M124 PolarHBondContact O-N 3.25Å
122N44Very low51Low86 Ų8699.7 Ų99.746%0.4654%0.535SS..Hα-helixtrans-69.2-18.9175.5-77.6-23.8000113.6M124N122-M124 VanDerWaalsContact C-N 3.28Å; N122-M124 PolarHBondContact O-N 3.14Å
123S50.1Low52Low68 Ų6894.4 Ų94.448%0.47650%0.5SS..Hα-helixtrans-63.8-33.7178.269.60000112.3F120 H121 I125 N126 L127F120-S123 PolarHBondContact O-OG 3.39Å; H121-S123 PolarHBondContact O-N 2.86Å; S123-I125 PolarHBondContact O-N 3.18Å; S123-N126 PolarHBondContact O-N 2.95Å; S123-L127 WeakPolarHBondContact O-CG 3.46Å
124M50Low53.6Low16 Ų1691.7 Ų91.78%0.07949%0.486CS..Hα-helixtrans-73.5-29.5-174.4-142.5-161.4-166.600113.2L105 H121 N122 N126 L127 Q132 S135L105-M124 HydrophobicContact CD2-CE 4.39Å; L105-M124 HydrophobicContact CD2-SD 3.93Å; H121-M124 PolarHBondContact O-N 3.25Å; N122-M124 VanDerWaalsContact C-N 3.28Å; N122-M124 PolarHBondContact O-N 3.14Å; M124-N126 VanDerWaalsContact C-N 3.27Å; M124-N126 PolarHBondContact O-N 3.24Å; M124-L127 HydrophobicContact CB-CD1 4.45Å; M124-L127 HydrophobicContact CG-CD1 3.92Å; M124-L127 PolarHBondContact O-N 3.39Å; M124-Q132 HydrophobicContact CE-CG 4.39Å; M124-Q132 HydrophobicContact SD-CG 4.38Å; M124-S135 VanDerWaalsContact CE-OG 3.27Å; M124-S135 WeakPolarHBondContact CE-OG 3.41Å
125I54.7Low55.1Low79 Ų7983.4 Ų83.441%0.40546%0.462SS..Hα-helixtrans-68.1-30.4178.6-59174.4000110.9S123S123-I125 PolarHBondContact O-N 3.18Å
126N53.8Low56.3Low143 Ų14375.3 Ų75.377%0.76542%0.418SS*.THydrogen-bonded Turntrans-88-4.9179.2-71.4-27.7000113.8S123 M124S123-N126 PolarHBondContact O-N 2.95Å; M124-N126 VanDerWaalsContact C-N 3.27Å; M124-N126 PolarHBondContact O-N 3.24Å
127L58.1Low57.8Low63 Ų6370.9 Ų70.933%0.3339%0.386SS..SBendtrans-74.7144.7176.9-63.8168.8000110.1S123 M124 F129 Q131S123-L127 WeakPolarHBondContact O-CG 3.46Å; M124-L127 HydrophobicContact CB-CD1 4.45Å; M124-L127 HydrophobicContact CG-CD1 3.92Å; M124-L127 PolarHBondContact O-N 3.39Å; L127-F129 PolarHBondContact O-N 2.82Å; L127-Q131 HydrophobicContact CB-CB 4.05Å; L127-Q131 HydrophobicContact CD1-CB 4.47Å
128P65.8Low59.2Low71 Ų7166.2 Ų66.246%0.46136%0.356SS..  trans-53.5140.1166.222.1-32.3000109.9S130 Q131 Q132P128-S130 PolarHBondContact O-N 3.46Å; P128-Q131 VanDerWaalsContact CD-OE1 3.32Å; P128-Q131 HydrophobicContact CG-CB 4.24Å; P128-Q131 HydrophobicContact CG-CG 3.96Å; P128-Q131 WeakPolarHBondContact O-CB 3.37Å; P128-Q131 PolarHBondContact O-N 3.01Å; P128-Q132 PolarHBondContact O-N 3.49Å
129F63.3Low60.4Low31 Ų3166 Ų6614%0.13635%0.349CS..Hα-helixtrans-49.2-32.3-175175.3-103.4000114.2D89 R90 M93 L127 Q132 L133 L167D89-F129 HydrophobicContact CB-CE1 3.47Å; D89-F129 VanDerWaalsContact CB-CE1 3.47Å; D89-F129 HydrophobicContact CB-CZ 3.6Å; D89-F129 WeakPolarHBondContact O-CZ 3.41Å; R90-F129 HydrophobicContact CB-CE2 4.25Å; R90-F129 HydrophobicContact CG-CD2 3.89Å; R90-F129 HydrophobicContact CG-CE2 3.66Å; R90-F129 HydrophobicContact CG-CZ 4.3Å; M93-F129 HydrophobicContact CB-CE2 4.24Å; M93-F129 HydrophobicContact CB-CZ 4.26Å; M93-F129 HydrophobicContact CE-CD2 3.63Å; M93-F129 HydrophobicContact CE-CE2 3.17Å; M93-F129 HydrophobicContact CE-CZ 3.71Å; M93-F129 HydrophobicContact SD-CE2 3.99Å; L127-F129 PolarHBondContact O-N 2.82Å; F129-Q132 PolarHBondContact O-N 3.3Å; F129-L133 HydrophobicContact CD1-CD1 3.93Å; F129-L133 HydrophobicContact CD1-CG 4.37Å; F129-L133 HydrophobicContact CE1-CD1 3.3Å; F129-L133 HydrophobicContact CE1-CG 3.87Å; F129-L133 HydrophobicContact CE2-CG 4.37Å; F129-L133 HydrophobicContact CZ-CD1 3.7Å; F129-L133 HydrophobicContact CZ-CD2 4.18Å; F129-L133 HydrophobicContact CZ-CG 3.86Å; F129-L133 PolarHBondContact O-N 3.28Å; F129-L167 HydrophobicContact CD1-CD1 4.24Å
130S62.9Low61.2Low50 Ų5058.8 Ų58.835%0.3531%0.311SS..Hα-helixtrans-63.7-39.2174.452.70000113.7P128 L133 N134P128-S130 PolarHBondContact O-N 3.46Å; S130-L133 PolarHBondContact O-N 3.11Å; S130-N134 WeakPolarHBondContact O-CB 3.46Å; S130-N134 PolarHBondContact O-N 3.18Å
131Q68.3Low62Low97 Ų9753.9 Ų53.945%0.45329%0.287SS..Hα-helixtrans-73-36175.8-73.8178.4-9.500111.2L127 P128 L133 N134 S135L127-Q131 HydrophobicContact CB-CB 4.05Å; L127-Q131 HydrophobicContact CD1-CB 4.47Å; P128-Q131 VanDerWaalsContact CD-OE1 3.32Å; P128-Q131 HydrophobicContact CG-CB 4.24Å; P128-Q131 HydrophobicContact CG-CG 3.96Å; P128-Q131 WeakPolarHBondContact O-CB 3.37Å; P128-Q131 PolarHBondContact O-N 3.01Å; Q131-L133 VanDerWaalsContact C-N 3.35Å; Q131-N134 PolarHBondContact O-N 3.48Å; Q131-S135 VanDerWaalsContact O-CB 3.26Å; Q131-S135 WeakPolarHBondContact O-CB 3.44Å; Q131-S135 PolarHBondContact O-N 3.14Å
132Q69.3Low63Low25 Ų2556.6 Ų56.612%0.11730%0.299CS..Hα-helixtrans-60.7-45.4170.9-170.8-178.918.600111M93 L109 M124 P128 F129 F136M93-Q132 HydrophobicContact CE-CB 4.11Å; M93-Q132 HydrophobicContact CE-CG 3.93Å; M93-Q132 HydrophobicContact SD-CG 4.24Å; L109-Q132 VanDerWaalsContact CD2-NE2 3.35Å; M124-Q132 HydrophobicContact CE-CG 4.39Å; M124-Q132 HydrophobicContact SD-CG 4.38Å; P128-Q132 PolarHBondContact O-N 3.49Å; F129-Q132 PolarHBondContact O-N 3.3Å; Q132-F136 WeakPolarHBondContact O-CB 3.47Å; Q132-F136 PolarHBondContact O-N 3.45Å
133L66.8Low63.5Low2 Ų257.3 Ų57.31%0.0130%0.303CS..Hα-helixtrans-60-50.1174.1-83.2179000111.9M93 F129 S130 Q131 F136 L137 N171M93-L133 HydrophobicContact CB-CD2 4Å; M93-L133 HydrophobicContact CE-CB 4Å; M93-L133 HydrophobicContact CE-CD1 4.42Å; M93-L133 HydrophobicContact CE-CD2 3.16Å; M93-L133 HydrophobicContact CE-CG 3.21Å; M93-L133 HydrophobicContact CG-CD2 3.69Å; M93-L133 HydrophobicContact SD-CD2 4.25Å; F129-L133 HydrophobicContact CD1-CD1 3.93Å; F129-L133 HydrophobicContact CD1-CG 4.37Å; F129-L133 HydrophobicContact CE1-CD1 3.3Å; F129-L133 HydrophobicContact CE1-CG 3.87Å; F129-L133 HydrophobicContact CE2-CG 4.37Å; F129-L133 HydrophobicContact CZ-CD1 3.7Å; F129-L133 HydrophobicContact CZ-CD2 4.18Å; F129-L133 HydrophobicContact CZ-CG 3.86Å; F129-L133 PolarHBondContact O-N 3.28Å; S130-L133 PolarHBondContact O-N 3.11Å; Q131-L133 VanDerWaalsContact C-N 3.35Å; L133-F136 PolarHBondContact O-N 3.01Å; L133-L137 WeakPolarHBondContact O-CB 3.42Å; L133-L137 VanDerWaalsContact O-CG 3.27Å; L133-L137 WeakPolarHBondContact O-CG 3.42Å; L133-L137 PolarHBondContact O-N 3.46Å; L133-N171 HydrophobicContact CB-CB 4.4Å; L133-N171 HydrophobicContact CD1-CB 4.3Å; L133-N171 WeakPolarHBondContact CD1-ND2 3.48Å
134N70.1Confident63.7Low65 Ų6556.4 Ų56.435%0.34829%0.291SS..Hα-helixtrans-64.8-42.9-177.4-167.72.4000111.2S130 Q131 F136 L137 N138S130-N134 WeakPolarHBondContact O-CB 3.46Å; S130-N134 PolarHBondContact O-N 3.18Å; Q131-N134 PolarHBondContact O-N 3.48Å; N134-F136 PolarHBondContact O-N 3.38Å; N134-L137 PolarHBondContact O-N 3.13Å; N134-N138 WeakPolarHBondContact O-CB 3.4Å; N134-N138 PolarHBondContact O-N 2.91Å; N134-N138 PolarHBondContact O-ND2 2.76Å; N134-N138 PolarHBondContact OD1-ND2 3.21Å
135S69.9Low63.8Low45 Ų4559.6 Ų59.632%0.31533%0.328SS..Hα-helixtrans-62.3-42.9175.3-170.50000111.7M124 Q131 N138 E139M124-S135 VanDerWaalsContact CE-OG 3.27Å; M124-S135 WeakPolarHBondContact CE-OG 3.41Å; Q131-S135 VanDerWaalsContact O-CB 3.26Å; Q131-S135 WeakPolarHBondContact O-CB 3.44Å; Q131-S135 PolarHBondContact O-N 3.14Å; S135-N138 PolarHBondContact O-N 3.11Å; S135-E139 WeakPolarHBondContact O-CG 3.2Å; S135-E139 PolarHBondContact O-N 3.34Å
136F69.9Low63.9Low1 Ų159.3 Ų59.30%0.00433%0.33CS..Hα-helixtrans-60.9-47.6174.3167.5-120.8000112.2L96 A97 L100 N102 L105 Q132 L133 N134 N138 E139 V140L96-F136 HydrophobicContact CB-CE1 4.36Å; L96-F136 HydrophobicContact CD1-CE1 4.2Å; L96-F136 HydrophobicContact CD2-CE1 3.67Å; L96-F136 HydrophobicContact CD2-CZ 3.78Å; L96-F136 HydrophobicContact CG-CE1 4.27Å; A97-F136 HydrophobicContact CB-CE2 4.03Å; A97-F136 HydrophobicContact CB-CZ 3.95Å; L100-F136 HydrophobicContact CD1-CZ 3.97Å; N102-F136 HydrophobicContact CB-CE2 4.47Å; N102-F136 WeakPolarHBondContact ND2-CE2 3.41Å; L105-F136 HydrophobicContact CD1-CB 4.14Å; L105-F136 HydrophobicContact CD1-CD2 3Å; L105-F136 HydrophobicContact CD1-CE2 3.52Å; L105-F136 HydrophobicContact CD1-CG 3.87Å; Q132-F136 WeakPolarHBondContact O-CB 3.47Å; Q132-F136 PolarHBondContact O-N 3.45Å; L133-F136 PolarHBondContact O-N 3.01Å; N134-F136 PolarHBondContact O-N 3.38Å; F136-N138 VanDerWaalsContact C-N 3.25Å; F136-N138 PolarHBondContact O-N 2.91Å; F136-E139 WeakPolarHBondContact O-CB 3.43Å; F136-E139 PolarHBondContact O-N 3.4Å; F136-E139 VanDerWaalsContact O-N 3.17Å; F136-V140 HydrophobicContact CD2-CG2 3.85Å; F136-V140 HydrophobicContact CE1-CG2 4.36Å; F136-V140 HydrophobicContact CE2-CG2 3.54Å; F136-V140 HydrophobicContact CG-CG2 4.5Å; F136-V140 HydrophobicContact CZ-CG2 3.83Å; F136-V140 VanDerWaalsContact O-CG2 3.27Å; F136-V140 WeakPolarHBondContact O-CG2 3.33Å; F136-V140 PolarHBondContact O-N 3.16Å
137L70.6Confident64.3Low5 Ų562.7 Ų62.73%0.02633%0.333CS..Hα-helixtrans-65.4-32.7179.1-66.5169.2000111.2L133 N134 V140 R141 N171 L172 C175L133-L137 WeakPolarHBondContact O-CB 3.42Å; L133-L137 VanDerWaalsContact O-CG 3.27Å; L133-L137 WeakPolarHBondContact O-CG 3.42Å; L133-L137 PolarHBondContact O-N 3.46Å; N134-L137 PolarHBondContact O-N 3.13Å; L137-V140 PolarHBondContact O-N 3.46Å; L137-R141 VanDerWaalsContact O-CG 3.25Å; L137-R141 WeakPolarHBondContact O-CG 3.02Å; L137-R141 PolarHBondContact O-N 3.42Å; L137-N171 HydrophobicContact CD1-CB 3.85Å; L137-L172 HydrophobicContact CD2-CD2 4.36Å; L137-C175 WeakPolarHBondContact CB-SG 3.45Å; L137-C175 WeakPolarHBondContact CD1-SG 3.32Å
138N71.8Confident65.2Low44 Ų4463.8 Ų63.824%0.23533%0.334CS..Hα-helixtrans-71-36.1171.9-70.6-33.2000113N134 S135 F136 R141 Q142N134-N138 WeakPolarHBondContact O-CB 3.4Å; N134-N138 PolarHBondContact O-N 2.91Å; N134-N138 PolarHBondContact O-ND2 2.76Å; N134-N138 PolarHBondContact OD1-ND2 3.21Å; S135-N138 PolarHBondContact O-N 3.11Å; F136-N138 VanDerWaalsContact C-N 3.25Å; F136-N138 PolarHBondContact O-N 2.91Å; N138-R141 WeakPolarHBondContact O-CB 3.42Å; N138-R141 PolarHBondContact O-N 2.93Å; N138-R141 PolarHBondContact OD1-NH1 3.38Å; N138-Q142 WeakPolarHBondContact O-CG 3.34Å; N138-Q142 PolarHBondContact O-N 3.23Å
139E67.3Low66Low53 Ų5360.6 Ų60.625%0.24831%0.314CS..Hα-helixtrans-64.1-43.6171.3-80.2178.9-167.600111S135 F136 R141 Q142 N143S135-E139 WeakPolarHBondContact O-CG 3.2Å; S135-E139 PolarHBondContact O-N 3.34Å; F136-E139 WeakPolarHBondContact O-CB 3.43Å; F136-E139 PolarHBondContact O-N 3.4Å; F136-E139 VanDerWaalsContact O-N 3.17Å; E139-R141 PolarHBondContact O-N 3.37Å; E139-Q142 PolarHBondContact O-N 3.11Å; E139-Q142 VanDerWaalsContact O-N 3.12Å; E139-N143 VanDerWaalsContact O-CB 3.24Å; E139-N143 WeakPolarHBondContact O-CB 3.41Å; E139-N143 PolarHBondContact O-N 2.85Å; E139-N143 PolarHBondContact O-ND2 2.93Å
140V66.6Low67.1Low4 Ų459.6 Ų59.62%0.02431%0.31CS..Hα-helixtrans-60.8-35.9174.7171.40000110.7L100 F136 L137 H144 I150L100-V140 HydrophobicContact CD1-CB 4.48Å; L100-V140 HydrophobicContact CD1-CG1 3.89Å; L100-V140 HydrophobicContact CD1-CG2 3.68Å; F136-V140 HydrophobicContact CD2-CG2 3.85Å; F136-V140 HydrophobicContact CE1-CG2 4.36Å; F136-V140 HydrophobicContact CE2-CG2 3.54Å; F136-V140 HydrophobicContact CG-CG2 4.5Å; F136-V140 HydrophobicContact CZ-CG2 3.83Å; F136-V140 VanDerWaalsContact O-CG2 3.27Å; F136-V140 WeakPolarHBondContact O-CG2 3.33Å; F136-V140 PolarHBondContact O-N 3.16Å; L137-V140 PolarHBondContact O-N 3.46Å; V140-H144 PolarHBondContact O-CD2 3.47Å; V140-I150 HydrophobicContact CG1-CD1 3.08Å
141R65.6Low68.4Low86 Ų8657.4 Ų57.433%0.32529%0.294SS..Hα-helixtrans-65.5-41.2172.1-72.6170.864.2-172.82.9113.1L137 N138 E139 E180L137-R141 VanDerWaalsContact O-CG 3.25Å; L137-R141 WeakPolarHBondContact O-CG 3.02Å; L137-R141 PolarHBondContact O-N 3.42Å; N138-R141 WeakPolarHBondContact O-CB 3.42Å; N138-R141 PolarHBondContact O-N 2.93Å; N138-R141 PolarHBondContact OD1-NH1 3.38Å; E139-R141 PolarHBondContact O-N 3.37Å; R141-E180 IonicContact NH2-OE2 3.32Å; R141-E180 PolarHBondContact NH2-OE2 3.24Å
142Q63.8Low69.6Low154 Ų15452.9 Ų52.972%0.7227%0.274SS*.Hα-helixtrans-86.1-39.2-172.8-71.8-178.96100113.9N138 E139 H144N138-Q142 WeakPolarHBondContact O-CG 3.34Å; N138-Q142 PolarHBondContact O-N 3.23Å; E139-Q142 PolarHBondContact O-N 3.11Å; E139-Q142 VanDerWaalsContact O-N 3.12Å; Q142-H144 VanDerWaalsContact C-N 3.34Å; Q142-H144 PolarHBondContact O-N 3.43Å
143N55Low70.8Confident102 Ų10251.7 Ų51.755%0.54527%0.268SS..Hα-helixtrans-76.7-17.2-170.4-73.8-26.6000113.6E139 G145E139-N143 VanDerWaalsContact O-CB 3.24Å; E139-N143 WeakPolarHBondContact O-CB 3.41Å; E139-N143 PolarHBondContact O-N 2.85Å; E139-N143 PolarHBondContact O-ND2 2.93Å; N143-G145 PolarHBondContact O-N 3.07Å
144H54.6Low72.2Confident48 Ų4851.6 Ų51.622%0.22227%0.267CS..  trans-82.371172.4-64.7-49.4000110.8V140 Q142 T146V140-H144 PolarHBondContact O-CD2 3.47Å; Q142-H144 VanDerWaalsContact C-N 3.34Å; Q142-H144 PolarHBondContact O-N 3.43Å; H144-T146 CarbonylContact C-O 3.45Å; H144-T146 CarbonylContact O-C 3.51Å; H144-T146 PolarHBondContact O-N 3.44Å; H144-T146 VanDerWaalsContact O-N 3.12Å
145G51.3Low73.3Confident83 Ų8349.6 Ų49.686%0.85626%0.259SS*.  trans-59.1-13162.500000113N143N143-G145 PolarHBondContact O-N 3.07Å
146T57.3Low74.5Confident73 Ų7348.9 Ų48.945%0.44825%0.25SS..SBendtrans-86.9133.6163.860.50000109.2H144 K148H144-T146 CarbonylContact C-O 3.45Å; H144-T146 CarbonylContact O-C 3.51Å; H144-T146 PolarHBondContact O-N 3.44Å; H144-T146 VanDerWaalsContact O-N 3.12Å; T146-K148 PolarHBondContact O-N 3.03Å; T146-K148 WeakPolarHBondContact OG1-CD 3.44Å; T146-K148 WeakPolarHBondContact OG1-CG 3.42Å
147R62.9Low75.7Confident215 Ų21548.9 Ų48.981%0.81125%0.25SS*.  trans-62.229.2-177-76.5179.6165175.2-5.6116.2R182R147-R182 PolarHBondContact O-NH1 2.96Å
148K75.9Confident76.8Confident85 Ų8549.6 Ų49.637%0.3725%0.254SS..  trans-71.2137.1-173.3-64.8-177.8-179.2-1770111.9G75 T146G75-K148 CarbonylContact O-C 3.55Å; G75-K148 VanDerWaalsContact O-C 3.32Å; G75-K148 WeakPolarHBondContact O-CA 3.4Å; G75-K148 VanDerWaalsContact O-CB 3.24Å; G75-K148 WeakPolarHBondContact O-CB 3.39Å; T146-K148 PolarHBondContact O-N 3.03Å; T146-K148 WeakPolarHBondContact OG1-CD 3.44Å; T146-K148 WeakPolarHBondContact OG1-CG 3.42Å
149A83.4Confident77.9Confident4 Ų449.9 Ų49.93%0.03326%0.255CS..EExtended strand (participates in β ladder)trans-92.114616900000109.8T36 V37 G75 I76 S77 R182T36-A149 HydrophobicContact CG2-CB 4.36Å; V37-A149 HydrophobicContact CB-CB 4.5Å; V37-A149 HydrophobicContact CG2-CB 3.8Å; G75-A149 PolarHBondContact O-N 3.42Å; I76-A149 WeakPolarHBondContact CA-O 3.37Å; S77-A149 PolarHBondContact N-O 2.9Å; A149-R182 CarbonylContact C-O 3.59Å; A149-R182 VanDerWaalsContact CA-O 3.32Å; A149-R182 WeakPolarHBondContact CA-O 3.46Å; A149-R182 HydrophobicContact CB-CB 4.13Å
150I86.9Confident79.1Confident10 Ų1047.4 Ų47.45%0.05124%0.244CC..EExtended strand (participates in β ladder)trans-108.1123.9-179.2-58.2173.1000108.4S77 V79 L100 V140 I152 R182 I183 C184S77-I150 WeakPolarHBondContact O-CA 3.44Å; V79-I150 HydrophobicContact CG2-CG2 4.39Å; L100-I150 HydrophobicContact CD2-CD1 4.41Å; L100-I150 HydrophobicContact CD2-CG2 4.14Å; V140-I150 HydrophobicContact CG1-CD1 3.08Å; I150-I152 HydrophobicContact CG2-CD1 4.29Å; I150-I152 HydrophobicContact CG2-CG1 3.82Å; I150-R182 PolarHBondContact N-O 3.31Å; I150-I183 HydrophobicContact CB-CG1 4.41Å; I150-I183 CarbonylContact O-C 3.32Å; I150-I183 WeakPolarHBondContact O-CA 2.85Å; I150-C184 PolarHBondContact O-N 3.49Å
151L90Very high80.4Confident4 Ų447.4 Ų47.42%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-108.9110.2177.1-176.265.4000109.3I63 I76 S77 E78 V79 V153 C184 I186I63-L151 HydrophobicContact CD1-CD2 3.41Å; I63-L151 VanDerWaalsContact CD1-CD2 3.41Å; I63-L151 HydrophobicContact CG1-CD2 3.53Å; I76-L151 HydrophobicContact CG2-CB 4.05Å; S77-L151 PolarHBondContact O-N 2.96Å; E78-L151 CarbonylContact C-O 3.55Å; E78-L151 WeakPolarHBondContact CA-O 3.21Å; E78-L151 HydrophobicContact CG-CD2 4.47Å; V79-L151 PolarHBondContact N-O 3.05Å; L151-V153 HydrophobicContact CG-CG2 4.37Å; L151-C184 CarbonylContact C-O 3.54Å; L151-C184 WeakPolarHBondContact CA-O 3.48Å; L151-C184 HydrophobicContact CD1-CB 3.63Å; L151-I186 HydrophobicContact CD1-CD1 3.65Å; L151-I186 HydrophobicContact CD1-CG1 4.04Å; L151-I186 HydrophobicContact CG-CD1 4.45Å
152I92.4Very high81.6Confident3 Ų348.4 Ų48.42%0.01526%0.256CS..EExtended strand (participates in β ladder)trans-104114.5-179.9-52.6179.3000108.9V79 L81 I150 L154 L172 I183 C184 I185 I186V79-I152 HydrophobicContact CB-CG1 4.34Å; V79-I152 CarbonylContact O-C 3.58Å; V79-I152 WeakPolarHBondContact O-CA 3.46Å; L81-I152 HydrophobicContact CD1-CG2 4.44Å; I150-I152 HydrophobicContact CG2-CD1 4.29Å; I150-I152 HydrophobicContact CG2-CG1 3.82Å; I152-L154 HydrophobicContact CG2-CD2 3.78Å; I152-L154 HydrophobicContact CG2-CG 4.32Å; I152-L172 HydrophobicContact CD1-CD2 3.77Å; I152-I183 HydrophobicContact CD1-CG2 4.14Å; I152-C184 PolarHBondContact N-O 3.4Å; I152-I185 HydrophobicContact CB-CG1 4.44Å; I152-I185 CarbonylContact O-C 3.6Å; I152-I185 WeakPolarHBondContact O-CA 3.3Å; I152-I186 PolarHBondContact O-N 3.32Å
153V95.1Very high82.9Confident0 Ų042.2 Ų42.20%023%0.227CC..EExtended strand (participates in β ladder)trans-102.6115.6176.8-1780000109.3I59 V79 Y80 L81 L151 I186 L188I59-V153 HydrophobicContact CD1-CG1 3.73Å; I59-V153 HydrophobicContact CD1-CG2 4.44Å; I59-V153 HydrophobicContact CG2-CG2 4Å; V79-V153 PolarHBondContact O-N 3.24Å; Y80-V153 HydrophobicContact CD1-CB 3.65Å; Y80-V153 HydrophobicContact CD1-CG1 4.02Å; Y80-V153 HydrophobicContact CD1-CG2 4.1Å; Y80-V153 HydrophobicContact CE1-CB 3.89Å; Y80-V153 HydrophobicContact CE1-CG1 4.22Å; Y80-V153 HydrophobicContact CE1-CG2 3.81Å; L81-V153 PolarHBondContact N-O 3.15Å; L151-V153 HydrophobicContact CG-CG2 4.37Å; V153-I186 CarbonylContact C-O 3.55Å; V153-I186 WeakPolarHBondContact CA-O 3.11Å; V153-L188 HydrophobicContact CG1-CD1 4.29Å
154L95.1Very high84.2Confident0 Ų043.2 Ų43.20%023%0.228CC..EExtended strand (participates in β ladder)trans-100.9109.6178.5-54.5178.5000109.6L81 I152 F157 F160 L169 L172 I185 I186 G187 L188L81-L154 HydrophobicContact CB-CD2 3.78Å; L81-L154 HydrophobicContact CD1-CD2 3.69Å; L81-L154 HydrophobicContact CG-CD2 4.14Å; I152-L154 HydrophobicContact CG2-CD2 3.78Å; I152-L154 HydrophobicContact CG2-CG 4.32Å; L154-F157 HydrophobicContact CB-CD2 4.03Å; L154-F157 HydrophobicContact CD1-CD2 3.72Å; L154-F157 HydrophobicContact CD1-CE2 3.8Å; L154-F160 HydrophobicContact CB-CE2 4.34Å; L154-L169 HydrophobicContact CD1-CD2 3.98Å; L154-L172 HydrophobicContact CD1-CD1 4.27Å; L154-L172 HydrophobicContact CD2-CD1 4.45Å; L154-I185 HydrophobicContact CD1-CG2 3.96Å; L154-I185 HydrophobicContact CG-CG2 4.38Å; L154-I186 PolarHBondContact N-O 3.46Å; L154-G187 CarbonylContact O-C 3.58Å; L154-L188 PolarHBondContact O-N 3.42Å
155S95Very high85.8Confident23 Ų2345 Ų4516%0.16124%0.239CC..EExtended strand (participates in β ladder)trans-90.3141.8176.5-58.70000111.7L81 G83L81-S155 PolarHBondContact O-N 3.44Å; G83-S155 PolarHBondContact N-O 2.99Å
156E94.5Very high87.7Confident30 Ų3041.4 Ų41.414%0.1420%0.2CC..SBendtrans51.355.9-171-59.4-69.8-14500111R51 L84 D158 L159 L188R51-E156 IonicContact CZ-OE1 3.24Å; R51-E156 IonicContact NE-OE1 2.93Å; R51-E156 IonicContact NH2-OE1 2.72Å; R51-E156 PolarHBondContact NH2-OE1 2.83Å; L84-E156 HydrophobicContact CD1-CG 4.29Å; L84-E156 HydrophobicContact CG-CG 4.33Å; E156-D158 PolarHBondContact O-N 3.36Å; E156-D158 VanDerWaalsContact O-N 3.14Å; E156-L159 HydrophobicContact CB-CD1 3.84Å; E156-L159 HydrophobicContact CB-CG 4.22Å; E156-L159 WeakPolarHBondContact O-CB 3.48Å; E156-L159 PolarHBondContact O-N 2.81Å; E156-L188 PolarHBondContact N-O 3.39Å; E156-L188 VanDerWaalsContact N-O 3.12Å
157F94.4Very high89.2Confident0 Ų039.5 Ų39.50%019%0.187CC..Hα-helixtrans-55.2-31-175.4179.5-89.2000113.5L46 L154 L159 F160 A161 L169 F173 L188 I194 L198L46-F157 HydrophobicContact CD1-CE1 4.4Å; L46-F157 HydrophobicContact CD2-CD1 3.85Å; L46-F157 HydrophobicContact CD2-CD2 4.06Å; L46-F157 HydrophobicContact CD2-CE1 3.84Å; L46-F157 HydrophobicContact CD2-CE2 4.02Å; L46-F157 HydrophobicContact CD2-CG 3.97Å; L46-F157 HydrophobicContact CD2-CZ 3.93Å; L154-F157 HydrophobicContact CB-CD2 4.03Å; L154-F157 HydrophobicContact CD1-CD2 3.72Å; L154-F157 HydrophobicContact CD1-CE2 3.8Å; F157-L159 VanDerWaalsContact C-N 3.26Å; F157-L159 PolarHBondContact O-N 3.29Å; F157-F160 WeakPolarHBondContact O-CB 3.22Å; F157-F160 PolarHBondContact O-N 3.01Å; F157-F160 VanDerWaalsContact O-N 3.11Å; F157-A161 PolarHBondContact O-N 3.41Å; F157-L169 HydrophobicContact CD2-CD2 4.25Å; F157-L169 HydrophobicContact CE1-CD1 4.42Å; F157-L169 HydrophobicContact CE2-CD1 4.23Å; F157-L169 HydrophobicContact CE2-CD2 3.45Å; F157-L169 VanDerWaalsContact CE2-CD2 3.45Å; F157-L169 HydrophobicContact CE2-CG 4.48Å; F157-L169 HydrophobicContact CZ-CD1 3.84Å; F157-L169 HydrophobicContact CZ-CD2 3.89Å; F157-L169 HydrophobicContact CZ-CG 4.48Å; F157-F173 AromaticContact CE2-CZ 3.94Å; F157-F173 HydrophobicContact CE2-CZ 3.94Å; F157-F173 HydrophobicContact CZ-CE2 4.16Å; F157-F173 AromaticContact CZ-CZ 3.86Å; F157-F173 HydrophobicContact CZ-CZ 3.86Å; F157-L188 WeakPolarHBondContact CB-O 3.46Å; F157-L188 PolarHBondContact N-O 2.99Å; F157-I194 HydrophobicContact CD1-CD1 3.67Å; F157-I194 HydrophobicContact CD1-CG1 3.6Å; F157-I194 HydrophobicContact CE1-CD1 3.95Å; F157-I194 HydrophobicContact CE1-CG1 3.8Å; F157-L198 HydrophobicContact CE1-CD2 3.95Å; F157-L198 HydrophobicContact CZ-CD2 4.08Å
158D94.3Very high90.5Very high21 Ų2129.3 Ų29.311%0.11215%0.149CC..Hα-helixtrans-57.6-34.5174.645.8-60.3000113.6E156 F160 A161 L162 T189 R191 I194E156-D158 PolarHBondContact O-N 3.36Å; E156-D158 VanDerWaalsContact O-N 3.14Å; D158-F160 VanDerWaalsContact C-N 3.33Å; D158-F160 PolarHBondContact O-N 2.95Å; D158-A161 PolarHBondContact O-N 3.4Å; D158-L162 WeakPolarHBondContact O-CG 3.47Å; D158-L162 PolarHBondContact O-N 3.41Å; D158-T189 PolarHBondContact OD1-OG1 2.95Å; D158-R191 HydrophobicContact CB-CB 4.08Å; D158-I194 HydrophobicContact CB-CD1 3.95Å
159L94.3Very high91.2Very high50 Ų5025.3 Ų25.326%0.26213%0.131SC..Hα-helixtrans-68.1-35.1176.4-62.1175.9000111.7L84 E156 F157 A161 L162L84-L159 HydrophobicContact CD2-CD1 3.57Å; L84-L159 HydrophobicContact CG-CD1 3.83Å; E156-L159 HydrophobicContact CB-CD1 3.84Å; E156-L159 HydrophobicContact CB-CG 4.22Å; E156-L159 WeakPolarHBondContact O-CB 3.48Å; E156-L159 PolarHBondContact O-N 2.81Å; F157-L159 VanDerWaalsContact C-N 3.26Å; F157-L159 PolarHBondContact O-N 3.29Å; L159-A161 VanDerWaalsContact C-N 3.31Å; L159-A161 PolarHBondContact O-N 3.23Å; L159-L162 HydrophobicContact CD2-CD1 4.35Å; L159-L162 PolarHBondContact O-N 3Å
160F93.3Very high91.6Very high0 Ų027.8 Ų27.80%014%0.14CC..Hα-helixtrans-68.6-31.6175-65.2-72.7000112.5L81 G83 H86 A92 L154 F157 D158 L162 H163 L168 L169L81-F160 HydrophobicContact CB-CZ 4.12Å; G83-F160 VanDerWaalsContact CA-CZ 3.48Å; G83-F160 VanDerWaalsContact N-CE2 3.3Å; G83-F160 VanDerWaalsContact N-CZ 3.34Å; H86-F160 HydrophobicContact CB-CE1 4.05Å; H86-F160 HydrophobicContact CB-CZ 4.34Å; A92-F160 HydrophobicContact CB-CE1 4.32Å; L154-F160 HydrophobicContact CB-CE2 4.34Å; F157-F160 WeakPolarHBondContact O-CB 3.22Å; F157-F160 PolarHBondContact O-N 3.01Å; F157-F160 VanDerWaalsContact O-N 3.11Å; D158-F160 VanDerWaalsContact C-N 3.33Å; D158-F160 PolarHBondContact O-N 2.95Å; F160-L162 PolarHBondContact O-N 3.03Å; F160-H163 VanDerWaalsContact CA-CD2 3.46Å; F160-H163 WeakPolarHBondContact CA-CD2 3.44Å; F160-H163 AromaticContact CD1-CD2 3.84Å; F160-H163 AromaticContact CD1-NE2 3.4Å; F160-H163 WeakPolarHBondContact CD1-NE2 3.47Å; F160-H163 PolarHBondContact O-CD2 3.34Å; F160-H163 VanDerWaalsContact O-CD2 3.32Å; F160-H163 PolarHBondContact O-N 3.41Å; F160-L168 HydrophobicContact CD1-CD2 3.84Å; F160-L168 HydrophobicContact CE1-CD2 4Å; F160-L169 HydrophobicContact CB-CD1 4.2Å; F160-L169 HydrophobicContact CB-CD2 4.08Å; F160-L169 HydrophobicContact CB-CG 4.24Å
161A92.4Very high91.6Very high5 Ų527.8 Ų27.84%0.04114%0.14CC..Hα-helixtrans-70-20.2175.200000112.7F157 D158 L159 Q166 L169 I194 L197 L198F157-A161 PolarHBondContact O-N 3.41Å; D158-A161 PolarHBondContact O-N 3.4Å; L159-A161 VanDerWaalsContact C-N 3.31Å; L159-A161 PolarHBondContact O-N 3.23Å; A161-Q166 PolarHBondContact O-NE2 3.41Å; A161-L169 HydrophobicContact CB-CD1 4.33Å; A161-I194 HydrophobicContact CB-CD1 3.98Å; A161-L197 HydrophobicContact CB-CB 4.04Å; A161-L198 HydrophobicContact CB-CD2 4.2Å
162L92.5Very high91.6Very high107 Ų10727.8 Ų27.856%0.5614%0.14SC*.THydrogen-bonded Turntrans-83.2-11176.2-65.3174.1000113.5D158 L159 F160 L197D158-L162 WeakPolarHBondContact O-CG 3.47Å; D158-L162 PolarHBondContact O-N 3.41Å; L159-L162 HydrophobicContact CD2-CD1 4.35Å; L159-L162 PolarHBondContact O-N 3Å; F160-L162 PolarHBondContact O-N 3.03Å; L162-L197 HydrophobicContact CD2-CD2 4.44Å
163H89.5Confident91.5Very high24 Ų2427.7 Ų27.711%0.11114%0.14CC..SBendtrans-63.3143174.3-62.6-45.2000111T87 D89 F160 N165 Q166T87-H163 PolarHBondContact O-CE1 3.43Å; T87-H163 PolarHBondContact O-ND1 2.93Å; D89-H163 IonicContact OD1-CD2 2.8Å; D89-H163 PolarHBondContact OD1-CD2 3.26Å; D89-H163 VanDerWaalsContact OD1-CD2 3.32Å; D89-H163 IonicContact OD1-CG 3.92Å; F160-H163 VanDerWaalsContact CA-CD2 3.46Å; F160-H163 WeakPolarHBondContact CA-CD2 3.44Å; F160-H163 AromaticContact CD1-CD2 3.84Å; F160-H163 AromaticContact CD1-NE2 3.4Å; F160-H163 WeakPolarHBondContact CD1-NE2 3.47Å; F160-H163 PolarHBondContact O-CD2 3.34Å; F160-H163 VanDerWaalsContact O-CD2 3.32Å; F160-H163 PolarHBondContact O-N 3.41Å; H163-N165 PolarHBondContact O-N 3.08Å; H163-Q166 PolarHBondContact O-N 3.4Å
164H84.3Confident91.2Very high122 Ų12230 Ų3057%0.56515%0.152SC*.G310 helixtrans-52.1131.5173.371.1-67.6000110.8Q166H164-Q166 PolarHBondContact O-N 3.3Å
165N86.7Confident90.6Very high86 Ų8630.4 Ų30.446%0.4615%0.154SC..G310 helixtrans59.90.6177.3-61.7-32.5000116.3H163 L167 E199 R201H163-N165 PolarHBondContact O-N 3.08Å; N165-L167 HydrophobicContact CB-CD2 3.88Å; N165-L167 HydrophobicContact CB-CG 3.88Å; N165-L167 PolarHBondContact O-N 3.47Å; N165-E199 WeakPolarHBondContact CA-OE1 3.32Å; N165-R201 PolarHBondContact O-NH2 3.44Å
166Q90.9Very high90.1Very high7 Ų729.9 Ų29.93%0.03315%0.151CC..G310 helixtrans45.141.2179.2-61.5176.27.200113.6A161 H163 H164 L168 L169 Y170 L197 E199 V202A161-Q166 PolarHBondContact O-NE2 3.41Å; H163-Q166 PolarHBondContact O-N 3.4Å; H164-Q166 PolarHBondContact O-N 3.3Å; Q166-L168 PolarHBondContact O-N 2.68Å; Q166-L169 HydrophobicContact CB-CB 4.44Å; Q166-L169 PolarHBondContact O-N 3.36Å; Q166-Y170 WeakPolarHBondContact O-CB 3.26Å; Q166-Y170 PolarHBondContact O-N 3.3Å; Q166-L197 PolarHBondContact NE2-O 3.24Å; Q166-E199 HydrophobicContact CG-CG 4.42Å; Q166-V202 HydrophobicContact CB-CG2 4Å
167L88.6Confident89.6Confident33 Ų3333.5 Ų33.517%0.17317%0.168CC..Hα-helixtrans-65.2-40.1-168.2-63.4175000112.3F129 N165 Y170 N171F129-L167 HydrophobicContact CD1-CD1 4.24Å; N165-L167 HydrophobicContact CB-CD2 3.88Å; N165-L167 HydrophobicContact CB-CG 3.88Å; N165-L167 PolarHBondContact O-N 3.47Å; L167-Y170 PolarHBondContact O-N 2.83Å; L167-N171 PolarHBondContact O-N 3.17Å; L167-N171 PolarHBondContact O-ND2 3.18Å
168L90.3Very high88.9Confident2 Ų234.4 Ų34.41%0.0117%0.174CC..Hα-helixtrans-59.1-50.5175.7178.968000111.1D89 A92 F160 Q166 Y170 N171 L172D89-L168 HydrophobicContact CB-CB 4.31Å; D89-L168 VanDerWaalsContact OD1-CB 3.26Å; D89-L168 WeakPolarHBondContact OD1-CB 3.34Å; A92-L168 HydrophobicContact CB-CD1 4.49Å; A92-L168 HydrophobicContact CB-CD2 3.57Å; F160-L168 HydrophobicContact CD1-CD2 3.84Å; F160-L168 HydrophobicContact CE1-CD2 4Å; Q166-L168 PolarHBondContact O-N 2.68Å; L168-Y170 PolarHBondContact O-N 3.4Å; L168-N171 PolarHBondContact O-N 2.92Å; L168-L172 HydrophobicContact CD1-CD1 4.04Å; L168-L172 HydrophobicContact CD1-CG 4.24Å; L168-L172 HydrophobicContact CG-CD1 3.92Å; L168-L172 HydrophobicContact CG-CG 4.43Å; L168-L172 VanDerWaalsContact O-CB 3.28Å; L168-L172 WeakPolarHBondContact O-CB 3.35Å; L168-L172 VanDerWaalsContact O-CG 3.25Å; L168-L172 WeakPolarHBondContact O-CG 3.47Å; L168-L172 PolarHBondContact O-N 2.97Å
169L92.3Very high87.8Confident1 Ų139.4 Ų39.41%0.00521%0.208CC..Hα-helixtrans-64.2-41.1-178.9-62.5-177.5000112L154 F157 F160 A161 Q166 L172 F173 L198 V202L154-L169 HydrophobicContact CD1-CD2 3.98Å; F157-L169 HydrophobicContact CD2-CD2 4.25Å; F157-L169 HydrophobicContact CE1-CD1 4.42Å; F157-L169 HydrophobicContact CE2-CD1 4.23Å; F157-L169 HydrophobicContact CE2-CD2 3.45Å; F157-L169 VanDerWaalsContact CE2-CD2 3.45Å; F157-L169 HydrophobicContact CE2-CG 4.48Å; F157-L169 HydrophobicContact CZ-CD1 3.84Å; F157-L169 HydrophobicContact CZ-CD2 3.89Å; F157-L169 HydrophobicContact CZ-CG 4.48Å; F160-L169 HydrophobicContact CB-CD1 4.2Å; F160-L169 HydrophobicContact CB-CD2 4.08Å; F160-L169 HydrophobicContact CB-CG 4.24Å; A161-L169 HydrophobicContact CB-CD1 4.33Å; Q166-L169 HydrophobicContact CB-CB 4.44Å; Q166-L169 PolarHBondContact O-N 3.36Å; L169-L172 PolarHBondContact O-N 3.28Å; L169-F173 HydrophobicContact CB-CE2 4.47Å; L169-F173 WeakPolarHBondContact O-CB 3.43Å; L169-F173 WeakPolarHBondContact O-CD2 3.46Å; L169-F173 WeakPolarHBondContact O-CG 3.27Å; L169-F173 PolarHBondContact O-N 2.74Å; L169-L198 HydrophobicContact CD1-CD2 3.93Å; L169-V202 HydrophobicContact CB-CG1 3.91Å
170Y91.2Very high86.7Confident55 Ų5544.2 Ų44.222%0.21623%0.229CC..Hα-helixtrans-56.4-54175.1177.5-93000111.1Q166 L167 L168 L172 F173 D174 R201 V202 R205Q166-Y170 WeakPolarHBondContact O-CB 3.26Å; Q166-Y170 PolarHBondContact O-N 3.3Å; L167-Y170 PolarHBondContact O-N 2.83Å; L168-Y170 PolarHBondContact O-N 3.4Å; Y170-L172 PolarHBondContact O-N 2.96Å; Y170-F173 PolarHBondContact O-N 2.78Å; Y170-D174 VanDerWaalsContact O-CB 3.22Å; Y170-D174 WeakPolarHBondContact O-CB 3.38Å; Y170-D174 PolarHBondContact O-N 3.01Å; Y170-R201 HydrophobicContact CD2-CB 4.48Å; Y170-R201 HydrophobicContact CD2-CG 4.08Å; Y170-R201 HydrophobicContact CE2-CB 4.37Å; Y170-R201 HydrophobicContact CE2-CG 4.37Å; Y170-V202 HydrophobicContact CD2-CG2 4.36Å; Y170-R205 PolarHBondContact OH-NH2 3.32Å
171N87.6Confident85.9Confident10 Ų1044.3 Ų44.35%0.05323%0.23CC..Hα-helixtrans-66.8-39.6-176.9-70.7-54.7000111.9L133 L137 L167 L168 D174 C175L133-N171 HydrophobicContact CB-CB 4.4Å; L133-N171 HydrophobicContact CD1-CB 4.3Å; L133-N171 WeakPolarHBondContact CD1-ND2 3.48Å; L137-N171 HydrophobicContact CD1-CB 3.85Å; L167-N171 PolarHBondContact O-N 3.17Å; L167-N171 PolarHBondContact O-ND2 3.18Å; L168-N171 PolarHBondContact O-N 2.92Å; N171-D174 PolarHBondContact O-N 2.7Å; N171-C175 PolarHBondContact O-N 3.05Å; N171-C175 PolarHBondContact O-SG 3.24Å
172L89.6Confident85.5Confident4 Ų448.2 Ų48.22%0.02124%0.243CC..Hα-helixtrans-62.1-47.2176.6-79.8-177.5000112.5L96 L137 I152 L154 L168 L169 Y170 C175 C176 I185L96-L172 HydrophobicContact CD1-CD2 4.27Å; L137-L172 HydrophobicContact CD2-CD2 4.36Å; I152-L172 HydrophobicContact CD1-CD2 3.77Å; L154-L172 HydrophobicContact CD1-CD1 4.27Å; L154-L172 HydrophobicContact CD2-CD1 4.45Å; L168-L172 HydrophobicContact CD1-CD1 4.04Å; L168-L172 HydrophobicContact CD1-CG 4.24Å; L168-L172 HydrophobicContact CG-CD1 3.92Å; L168-L172 HydrophobicContact CG-CG 4.43Å; L168-L172 VanDerWaalsContact O-CB 3.28Å; L168-L172 WeakPolarHBondContact O-CB 3.35Å; L168-L172 VanDerWaalsContact O-CG 3.25Å; L168-L172 WeakPolarHBondContact O-CG 3.47Å; L168-L172 PolarHBondContact O-N 2.97Å; L169-L172 PolarHBondContact O-N 3.28Å; Y170-L172 PolarHBondContact O-N 2.96Å; L172-C175 PolarHBondContact O-N 2.75Å; L172-C176 PolarHBondContact O-N 2.92Å; L172-I185 HydrophobicContact CB-CD1 3.69Å; L172-I185 HydrophobicContact CD2-CD1 4.35Å; L172-I185 HydrophobicContact CG-CD1 4.45Å; L172-I185 WeakPolarHBondContact O-CD1 3.31Å
173F90.5Very high85.2Confident2 Ų243.5 Ų43.51%0.00922%0.218CC..Hα-helixtrans-74.5-31178.5-65.2-30.4000113.3F157 L169 Y170 C175 C176 Q177 I185 V202 R205 F206F157-F173 AromaticContact CE2-CZ 3.94Å; F157-F173 HydrophobicContact CE2-CZ 3.94Å; F157-F173 HydrophobicContact CZ-CE2 4.16Å; F157-F173 AromaticContact CZ-CZ 3.86Å; F157-F173 HydrophobicContact CZ-CZ 3.86Å; L169-F173 HydrophobicContact CB-CE2 4.47Å; L169-F173 WeakPolarHBondContact O-CB 3.43Å; L169-F173 WeakPolarHBondContact O-CD2 3.46Å; L169-F173 WeakPolarHBondContact O-CG 3.27Å; L169-F173 PolarHBondContact O-N 2.74Å; Y170-F173 PolarHBondContact O-N 2.78Å; F173-C175 VanDerWaalsContact C-N 3.3Å; F173-C176 PolarHBondContact O-N 2.68Å; F173-Q177 PolarHBondContact O-N 2.92Å; F173-I185 HydrophobicContact CD1-CD1 4.08Å; F173-I185 HydrophobicContact CE1-CB 4.42Å; F173-I185 HydrophobicContact CE1-CD1 4.38Å; F173-I185 HydrophobicContact CE1-CG2 3.97Å; F173-V202 HydrophobicContact CD2-CG1 3.55Å; F173-V202 HydrophobicContact CE2-CG1 3.82Å; F173-R205 HydrophobicContact CB-CB 3.89Å; F173-F206 HydrophobicContact CD2-CB 4.41Å; F173-F206 HydrophobicContact CE1-CD2 4.19Å; F173-F206 HydrophobicContact CE2-CB 4.45Å; F173-F206 HydrophobicContact CE2-CD2 4.28Å; F173-F206 AromaticContact CZ-CD2 3.98Å; F173-F206 HydrophobicContact CZ-CD2 3.98Å
174D87.2Confident85.2Confident48 Ų4842.5 Ų42.526%0.25721%0.214SC..Hα-helixtrans-61.9-40.5171.5-164.865000110.6Y170 N171 C176 Q177 R205Y170-D174 VanDerWaalsContact O-CB 3.22Å; Y170-D174 WeakPolarHBondContact O-CB 3.38Å; Y170-D174 PolarHBondContact O-N 3.01Å; N171-D174 PolarHBondContact O-N 2.7Å; D174-C176 PolarHBondContact O-N 3.32Å; D174-Q177 PolarHBondContact O-N 3.3Å; D174-Q177 VanDerWaalsContact O-N 3.14Å; D174-R205 IonicContact OD1-CZ 3.73Å; D174-R205 VanDerWaalsContact OD1-CZ 3.31Å; D174-R205 IonicContact OD1-NE 2.71Å; D174-R205 PolarHBondContact OD1-NE 3.21Å; D174-R205 IonicContact OD1-NH2 3.2Å; D174-R205 PolarHBondContact OD1-NH2 3.34Å
175C83.2Confident85.7Confident8 Ų836.8 Ų36.85%0.05419%0.187CC..Hα-helixtrans-60.8-42.7173.3-70.80000112.6L137 N171 L172 F173 Q177 S178 S181 I183L137-C175 WeakPolarHBondContact CB-SG 3.45Å; L137-C175 WeakPolarHBondContact CD1-SG 3.32Å; N171-C175 PolarHBondContact O-N 3.05Å; N171-C175 PolarHBondContact O-SG 3.24Å; L172-C175 PolarHBondContact O-N 2.75Å; F173-C175 VanDerWaalsContact C-N 3.3Å; C175-Q177 PolarHBondContact O-N 3.4Å; C175-Q177 VanDerWaalsContact O-N 3.16Å; C175-S178 WeakPolarHBondContact O-CB 3.31Å; C175-S178 PolarHBondContact O-N 3.04Å; C175-S178 PolarHBondContact O-OG 3.21Å; C175-S181 PolarHBondContact O-OG 3.28Å; C175-I183 HydrophobicContact CB-CD1 4.08Å
176C84.5Confident86.1Confident13 Ų1332.7 Ų32.79%0.08817%0.166CC..Hα-helixtrans-61.6-20.7176.8-720000114.4S42 L172 F173 D174 S178 I185S42-C176 WeakPolarHBondContact CB-O 3.35Å; L172-C176 PolarHBondContact O-N 2.92Å; F173-C176 PolarHBondContact O-N 2.68Å; D174-C176 PolarHBondContact O-N 3.32Å; C176-S178 VanDerWaalsContact C-N 3.32Å; C176-I185 WeakPolarHBondContact SG-CD1 3.39Å; C176-I185 VanDerWaalsContact SG-CG1 3.57Å
177Q83.7Confident86.3Confident106 Ų10632.4 Ų32.450%0.49517%0.165SC..Hα-helixtrans-78.9-17.8176.3-65.9-166.8-36.600113F173 D174 C175F173-Q177 PolarHBondContact O-N 2.92Å; D174-Q177 PolarHBondContact O-N 3.3Å; D174-Q177 VanDerWaalsContact O-N 3.14Å; C175-Q177 PolarHBondContact O-N 3.4Å; C175-Q177 VanDerWaalsContact O-N 3.16Å
178S80.5Confident86.6Confident19 Ų1931.2 Ų31.213%0.13316%0.159CC..SBendtrans-74.4125.3179.169.30000110.4C175 C176 E180 S181C175-S178 WeakPolarHBondContact O-CB 3.31Å; C175-S178 PolarHBondContact O-N 3.04Å; C175-S178 PolarHBondContact O-OG 3.21Å; C176-S178 VanDerWaalsContact C-N 3.32Å; S178-E180 PolarHBondContact O-N 2.9Å; S178-E180 VanDerWaalsContact O-N 3.15Å; S178-S181 PolarHBondContact O-N 3.45Å; S178-S181 VanDerWaalsContact O-N 3.16Å; S178-S181 PolarHBondContact O-OG 3.47Å; S178-S181 WeakPolarHBondContact OG-CB 3.45Å; S178-S181 PolarHBondContact OG-OG 3.35Å
179P70.5Confident86.8Confident125 Ų12531.1 Ų31.181%0.81216%0.158SC*.THydrogen-bonded Turntrans-68.1-17.1-173.127.1-35.5000113.5
180E72.2Confident86.8Confident152 Ų15232.9 Ų32.971%0.7117%0.17SC*.THydrogen-bonded Turntrans-88.9-13.5179.8-62.8175.2163.100113.2R141 S178R141-E180 IonicContact NH2-OE2 3.32Å; R141-E180 PolarHBondContact NH2-OE2 3.24Å; S178-E180 PolarHBondContact O-N 2.9Å; S178-E180 VanDerWaalsContact O-N 3.15Å
181S75.4Confident86.9Confident2 Ų234.4 Ų34.41%0.01418%0.175CC..  trans-80.7138-179.665.10000110.5G40 S42 C175 S178G40-S181 VanDerWaalsContact O-O 3.13Å; S42-S181 PolarHBondContact OG-O 3.22Å; S42-S181 PolarHBondContact OG-OG 2.83Å; C175-S181 PolarHBondContact O-OG 3.28Å; S178-S181 PolarHBondContact O-N 3.45Å; S178-S181 VanDerWaalsContact O-N 3.16Å; S178-S181 PolarHBondContact O-OG 3.47Å; S178-S181 WeakPolarHBondContact OG-CB 3.45Å; S178-S181 PolarHBondContact OG-OG 3.35Å
182R83.8Confident87Confident87 Ų8740 Ų4033%0.32820%0.204SC..  trans-107.459.5172.3-56.5-162.8-173.7106.38.1110.1R147 A149 I150R147-R182 PolarHBondContact O-NH1 2.96Å; A149-R182 CarbonylContact C-O 3.59Å; A149-R182 VanDerWaalsContact CA-O 3.32Å; A149-R182 WeakPolarHBondContact CA-O 3.46Å; A149-R182 HydrophobicContact CB-CB 4.13Å; I150-R182 PolarHBondContact N-O 3.31Å
183I87.4Confident87.1Confident8 Ų842.7 Ų42.74%0.04122%0.219CC..EExtended strand (participates in β ladder)trans-113.5124.9-173.2-58.2174.3000109.4S42 S43 I150 I152 C175 I185S42-I183 VanDerWaalsContact CA-O 3.25Å; S42-I183 WeakPolarHBondContact CA-O 3.37Å; S42-I183 WeakPolarHBondContact CB-O 3.45Å; S42-I183 PolarHBondContact OG-N 2.88Å; S42-I183 PolarHBondContact OG-O 3.44Å; S43-I183 PolarHBondContact N-O 3.44Å; S43-I183 VanDerWaalsContact N-O 3.08Å; I150-I183 HydrophobicContact CB-CG1 4.41Å; I150-I183 CarbonylContact O-C 3.32Å; I150-I183 WeakPolarHBondContact O-CA 2.85Å; I152-I183 HydrophobicContact CD1-CG2 4.14Å; C175-I183 HydrophobicContact CB-CD1 4.08Å; I183-I185 HydrophobicContact CG2-CD1 4.28Å; I183-I185 HydrophobicContact CG2-CG1 3.83Å
184C89.8Confident87.1Confident3 Ų342.6 Ų42.62%0.0222%0.218CC..EExtended strand (participates in β ladder)trans-110124.9168.9-179.60000109.7T36 S43 I150 L151 I152T36-C184 HydrophobicContact CG2-CB 3.9Å; S43-C184 CarbonylContact O-C 3.6Å; S43-C184 VanDerWaalsContact O-CA 3.25Å; S43-C184 WeakPolarHBondContact O-CA 3.34Å; I150-C184 PolarHBondContact O-N 3.49Å; L151-C184 CarbonylContact C-O 3.54Å; L151-C184 WeakPolarHBondContact CA-O 3.48Å; L151-C184 HydrophobicContact CD1-CB 3.63Å; I152-C184 PolarHBondContact N-O 3.4Å
185I93.3Very high87.3Confident1 Ų141.6 Ų41.61%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-112.5120.3179.5-56.1-175000109S43 S44 I45 I152 L154 L172 F173 C176 I183S43-I185 PolarHBondContact O-N 3.11Å; S44-I185 CarbonylContact C-O 3.56Å; S44-I185 WeakPolarHBondContact CA-O 3.45Å; I45-I185 PolarHBondContact N-O 3.49Å; I152-I185 HydrophobicContact CB-CG1 4.44Å; I152-I185 CarbonylContact O-C 3.6Å; I152-I185 WeakPolarHBondContact O-CA 3.3Å; L154-I185 HydrophobicContact CD1-CG2 3.96Å; L154-I185 HydrophobicContact CG-CG2 4.38Å; L172-I185 HydrophobicContact CB-CD1 3.69Å; L172-I185 HydrophobicContact CD2-CD1 4.35Å; L172-I185 HydrophobicContact CG-CD1 4.45Å; L172-I185 WeakPolarHBondContact O-CD1 3.31Å; F173-I185 HydrophobicContact CD1-CD1 4.08Å; F173-I185 HydrophobicContact CE1-CB 4.42Å; F173-I185 HydrophobicContact CE1-CD1 4.38Å; F173-I185 HydrophobicContact CE1-CG2 3.97Å; C176-I185 WeakPolarHBondContact SG-CD1 3.39Å; C176-I185 VanDerWaalsContact SG-CG1 3.57Å; I183-I185 HydrophobicContact CG2-CD1 4.28Å; I183-I185 HydrophobicContact CG2-CG1 3.83Å
186I94.9Very high87.7Confident0 Ų048.9 Ų48.90%025%0.246CC..EExtended strand (participates in β ladder)trans-114.7110.6176.9-53.6174.6000108.9L29 I45 I47 I59 L151 I152 V153 L154L29-I186 HydrophobicContact CD1-CD1 3.9Å; L29-I186 HydrophobicContact CD1-CG1 4.5Å; I45-I186 HydrophobicContact CG2-CB 4.17Å; I45-I186 HydrophobicContact CG2-CG1 3.73Å; I45-I186 HydrophobicContact CG2-CG2 4.14Å; I45-I186 CarbonylContact O-C 3.38Å; I45-I186 WeakPolarHBondContact O-CA 3.44Å; I47-I186 HydrophobicContact CD1-CG2 3.62Å; I47-I186 HydrophobicContact CG1-CG2 3.98Å; I59-I186 HydrophobicContact CD1-CB 4.25Å; I59-I186 HydrophobicContact CD1-CD1 4.45Å; I59-I186 HydrophobicContact CD1-CG2 3.46Å; I59-I186 VanDerWaalsContact CD1-CG2 3.46Å; I59-I186 HydrophobicContact CG1-CD1 4.41Å; I59-I186 HydrophobicContact CG1-CG2 4.11Å; I59-I186 HydrophobicContact CG2-CD1 4.31Å; L151-I186 HydrophobicContact CD1-CD1 3.65Å; L151-I186 HydrophobicContact CD1-CG1 4.04Å; L151-I186 HydrophobicContact CG-CD1 4.45Å; I152-I186 PolarHBondContact O-N 3.32Å; V153-I186 CarbonylContact C-O 3.55Å; V153-I186 WeakPolarHBondContact CA-O 3.11Å; L154-I186 PolarHBondContact N-O 3.46Å
187G95.4Very high88Confident1 Ų150.2 Ų50.21%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-92.3130.9171.400000111.8I45 L46 I47 L154I45-G187 PolarHBondContact O-N 3.4Å; L46-G187 CarbonylContact C-O 3.57Å; L46-G187 WeakPolarHBondContact CA-O 3.45Å; I47-G187 PolarHBondContact N-O 2.87Å; L154-G187 CarbonylContact O-C 3.58Å
188L95.7Very high88.5Confident9 Ų945.6 Ų45.65%0.04723%0.231CC..EExtended strand (participates in β ladder)trans-105.5124.6172.3-62.3-179.8000109.3I47 K55 H56 I59 V153 L154 E156 F157I47-L188 HydrophobicContact CB-CD2 3.71Å; I47-L188 HydrophobicContact CD1-CD2 4.02Å; I47-L188 HydrophobicContact CG1-CD2 4.29Å; I47-L188 HydrophobicContact CG2-CD2 4.13Å; K55-L188 HydrophobicContact CB-CD2 3.82Å; H56-L188 HydrophobicContact CB-CD1 4.28Å; I59-L188 HydrophobicContact CD1-CD1 3.89Å; I59-L188 HydrophobicContact CD1-CD2 3.47Å; I59-L188 VanDerWaalsContact CD1-CD2 3.47Å; I59-L188 HydrophobicContact CD1-CG 3.79Å; I59-L188 HydrophobicContact CG1-CD2 4.36Å; V153-L188 HydrophobicContact CG1-CD1 4.29Å; L154-L188 PolarHBondContact O-N 3.42Å; E156-L188 PolarHBondContact N-O 3.39Å; E156-L188 VanDerWaalsContact N-O 3.12Å; F157-L188 WeakPolarHBondContact CB-O 3.46Å; F157-L188 PolarHBondContact N-O 2.99Å
189T94.7Very high89.1Confident0 Ų047.5 Ų47.50%024%0.237CC..EExtended strand (participates in β ladder)trans-140.8155.5172-175.60000111.7I47 I48 G49 K55 D158 R191 I194I47-T189 PolarHBondContact O-N 2.83Å; I47-T189 VanDerWaalsContact O-N 3.09Å; I48-T189 HydrophobicContact CB-CG2 4.47Å; I48-T189 HydrophobicContact CG1-CG2 3.88Å; I48-T189 HydrophobicContact CG2-CG2 4.47Å; G49-T189 PolarHBondContact N-O 3.48Å; G49-T189 VanDerWaalsContact N-O 3.11Å; K55-T189 PolarHBondContact NZ-O 3.34Å; D158-T189 PolarHBondContact OD1-OG1 2.95Å; T189-R191 WeakPolarHBondContact OG1-CB 3.23Å; T189-R191 PolarHBondContact OG1-N 2.89Å; T189-I194 HydrophobicContact CG2-CB 4.13Å; T189-I194 HydrophobicContact CG2-CG1 4.21Å; T189-I194 HydrophobicContact CG2-CG2 4.05Å
190C92.7Very high90.1Very high38 Ų3850.9 Ų50.926%0.25724%0.239SC..SBendtrans-97.7-6.4167.560.50000113.8G49 R51G49-C190 WeakPolarHBondContact O-CA 3.21Å; G49-C190 WeakPolarHBondContact O-CB 3.42Å; R51-C190 HydrophobicContact CG-CB 4.07Å
191R92.2Very high91Very high86 Ų8648.2 Ų48.233%0.32522%0.223SC..  trans-87.4130.3-176.9-169.4161.9-176.6173.4-2.1110.6D158 T189 D193D158-R191 HydrophobicContact CB-CB 4.08Å; T189-R191 WeakPolarHBondContact OG1-CB 3.23Å; T189-R191 PolarHBondContact OG1-N 2.89Å; R191-D193 WeakPolarHBondContact CD-OD1 3.26Å; R191-D193 WeakPolarHBondContact CG-OD1 3.3Å; R191-D193 IonicContact CZ-OD1 3.15Å; R191-D193 IonicContact CZ-OD2 2.95Å; R191-D193 VanDerWaalsContact CZ-OD2 3.24Å; R191-D193 VanDerWaalsContact NE-CG 3.25Å; R191-D193 IonicContact NE-OD1 2.76Å; R191-D193 PolarHBondContact NE-OD1 3.27Å; R191-D193 IonicContact NE-OD2 3.14Å; R191-D193 PolarHBondContact NE-OD2 3.13Å; R191-D193 IonicContact NH2-OD2 3.58Å; R191-D193 PolarHBondContact NH2-OD2 2.72Å
192L89.6Confident91.8Very high127 Ų12748.1 Ų48.167%0.66522%0.222SC*.SBendtrans-81.6-36-176.9-64.2176000111.9I48 I194I48-L192 HydrophobicContact CG2-CD2 3.78Å; L192-I194 PolarHBondContact O-N 2.93Å
193D91.7Very high92.1Very high61 Ų6147.7 Ų47.733%0.32622%0.222SC..THydrogen-bonded Turntrans-81.520.1-179.958.1-44.7000113.4R191 M195 E196 L197R191-D193 WeakPolarHBondContact CD-OD1 3.26Å; R191-D193 WeakPolarHBondContact CG-OD1 3.3Å; R191-D193 IonicContact CZ-OD1 3.15Å; R191-D193 IonicContact CZ-OD2 2.95Å; R191-D193 VanDerWaalsContact CZ-OD2 3.24Å; R191-D193 VanDerWaalsContact NE-CG 3.25Å; R191-D193 IonicContact NE-OD1 2.76Å; R191-D193 PolarHBondContact NE-OD1 3.27Å; R191-D193 IonicContact NE-OD2 3.14Å; R191-D193 PolarHBondContact NE-OD2 3.13Å; R191-D193 IonicContact NH2-OD2 3.58Å; R191-D193 PolarHBondContact NH2-OD2 2.72Å; D193-M195 PolarHBondContact O-N 2.78Å; D193-E196 WeakPolarHBondContact O-CB 3.3Å; D193-E196 PolarHBondContact O-N 3Å; D193-L197 PolarHBondContact O-N 3.19Å
194I91.8Very high92.3Very high0 Ų051.4 Ų51.40%025%0.249CC..Hα-helixtrans-60-32.4-176.6-171.654.5000113.2L46 I48 F157 D158 A161 T189 L192 E196 L197 L198L46-I194 HydrophobicContact CD1-CG2 4.33Å; I48-I194 HydrophobicContact CD1-CG2 3.82Å; I48-I194 HydrophobicContact CG1-CG2 4.32Å; F157-I194 HydrophobicContact CD1-CD1 3.67Å; F157-I194 HydrophobicContact CD1-CG1 3.6Å; F157-I194 HydrophobicContact CE1-CD1 3.95Å; F157-I194 HydrophobicContact CE1-CG1 3.8Å; D158-I194 HydrophobicContact CB-CD1 3.95Å; A161-I194 HydrophobicContact CB-CD1 3.98Å; T189-I194 HydrophobicContact CG2-CB 4.13Å; T189-I194 HydrophobicContact CG2-CG1 4.21Å; T189-I194 HydrophobicContact CG2-CG2 4.05Å; L192-I194 PolarHBondContact O-N 2.93Å; I194-E196 PolarHBondContact O-N 3.37Å; I194-L197 HydrophobicContact CD1-CB 4.39Å; I194-L197 HydrophobicContact CD1-CD1 3.91Å; I194-L197 PolarHBondContact O-N 3.1Å; I194-L198 PolarHBondContact O-N 2.99Å
195M90.6Very high92.3Very high28 Ų2854 Ų5414%0.13826%0.259CS..Hα-helixtrans-70.9-15.5179.1-70.5-61.1-81.500114.3L46 D193 L198 K203 F206 Q210L46-M195 HydrophobicContact CD1-SD 4.05Å; D193-M195 PolarHBondContact O-N 2.78Å; M195-L198 HydrophobicContact SD-CD1 4.15Å; M195-K203 PolarHBondContact O-NZ 2.88Å; M195-F206 HydrophobicContact CE-CD1 3.81Å; M195-F206 HydrophobicContact CE-CE1 3.93Å; M195-F206 HydrophobicContact SD-CD1 4.12Å; M195-F206 HydrophobicContact SD-CE1 3.94Å; M195-Q210 PolarHBondContact SD-NE2 2.91Å
196E90.7Very high92.1Very high160 Ų16054.2 Ų54.275%0.74826%0.26SS*.Hα-helixtrans-90.1-30.3176-60.7-177.8177.900111D193 I194 L198D193-E196 WeakPolarHBondContact O-CB 3.3Å; D193-E196 PolarHBondContact O-N 3Å; I194-E196 PolarHBondContact O-N 3.37Å; E196-L198 VanDerWaalsContact C-N 3.29Å; E196-L198 PolarHBondContact O-N 3.32Å
197L92.2Very high91.6Very high42 Ų4256.5 Ų56.522%0.2228%0.276CS..Hα-helixtrans-67.1-29.3173.7-67.1175.9000112.8A161 L162 Q166 D193 I194 E199A161-L197 HydrophobicContact CB-CB 4.04Å; L162-L197 HydrophobicContact CD2-CD2 4.44Å; Q166-L197 PolarHBondContact NE2-O 3.24Å; D193-L197 PolarHBondContact O-N 3.19Å; I194-L197 HydrophobicContact CD1-CB 4.39Å; I194-L197 HydrophobicContact CD1-CD1 3.91Å; I194-L197 PolarHBondContact O-N 3.1Å; L197-E199 PolarHBondContact O-N 3.1Å
198L93.4Very high91.2Very high8 Ų861.6 Ų61.64%0.04230%0.299CS..SBendtrans-68.6129.7-179.7-66.4179000111.6F157 A161 L169 I194 M195 E196 V202 K203F157-L198 HydrophobicContact CE1-CD2 3.95Å; F157-L198 HydrophobicContact CZ-CD2 4.08Å; A161-L198 HydrophobicContact CB-CD2 4.2Å; L169-L198 HydrophobicContact CD1-CD2 3.93Å; I194-L198 PolarHBondContact O-N 2.99Å; M195-L198 HydrophobicContact SD-CD1 4.15Å; E196-L198 VanDerWaalsContact C-N 3.29Å; E196-L198 PolarHBondContact O-N 3.32Å; L198-V202 HydrophobicContact CD2-CG1 4.13Å; L198-K203 HydrophobicContact CB-CB 4.23Å
199E92.6Very high91Very high59 Ų5965.3 Ų65.328%0.27631%0.312SS..  trans-59.5148.6172.9-73.2-178.6-168.100110.9N165 Q166 L197 R201 V202 K203N165-E199 WeakPolarHBondContact CA-OE1 3.32Å; Q166-E199 HydrophobicContact CG-CG 4.42Å; L197-E199 PolarHBondContact O-N 3.1Å; E199-R201 HydrophobicContact CB-CG 4.26Å; E199-R201 PolarHBondContact O-N 2.98Å; E199-R201 IonicContact OE1-NH2 3.53Å; E199-R201 IonicContact OE2-CZ 3.1Å; E199-R201 IonicContact OE2-NE 3.31Å; E199-R201 PolarHBondContact OE2-NE 2.8Å; E199-R201 IonicContact OE2-NH2 2.91Å; E199-R201 PolarHBondContact OE2-NH2 2.6Å; E199-V202 HydrophobicContact CB-CG2 4.26Å; E199-V202 PolarHBondContact O-N 3.18Å; E199-K203 WeakPolarHBondContact O-CB 3.4Å; E199-K203 PolarHBondContact O-N 3.04Å
200K91.4Very high90.8Very high196 Ų19667.8 Ų67.885%0.85232%0.324SS*.Hα-helixtrans-50.2-40.3-179-66.6-177.2-179.4178.60112.9S204K200-S204 WeakPolarHBondContact O-CB 3.16Å; K200-S204 PolarHBondContact O-N 3.39Å
201R91Very high90.8Very high97 Ų9766.4 Ų66.437%0.36631%0.314SS..Hα-helixtrans-69.6-31.1179.964.8174.3170.9-180-11.4114.3N165 Y170 E199N165-R201 PolarHBondContact O-NH2 3.44Å; Y170-R201 HydrophobicContact CD2-CB 4.48Å; Y170-R201 HydrophobicContact CD2-CG 4.08Å; Y170-R201 HydrophobicContact CE2-CB 4.37Å; Y170-R201 HydrophobicContact CE2-CG 4.37Å; E199-R201 HydrophobicContact CB-CG 4.26Å; E199-R201 PolarHBondContact O-N 2.98Å; E199-R201 IonicContact OE1-NH2 3.53Å; E199-R201 IonicContact OE2-CZ 3.1Å; E199-R201 IonicContact OE2-NE 3.31Å; E199-R201 PolarHBondContact OE2-NE 2.8Å; E199-R201 IonicContact OE2-NH2 2.91Å; E199-R201 PolarHBondContact OE2-NH2 2.6Å
202V92.3Very high90.8Very high0 Ų068.4 Ų68.40%032%0.322CS..Hα-helixtrans-81.7-44.9177.9-178.40000108.9Q166 L169 Y170 F173 L198 E199 S204 R205 F206Q166-V202 HydrophobicContact CB-CG2 4Å; L169-V202 HydrophobicContact CB-CG1 3.91Å; Y170-V202 HydrophobicContact CD2-CG2 4.36Å; F173-V202 HydrophobicContact CD2-CG1 3.55Å; F173-V202 HydrophobicContact CE2-CG1 3.82Å; L198-V202 HydrophobicContact CD2-CG1 4.13Å; E199-V202 HydrophobicContact CB-CG2 4.26Å; E199-V202 PolarHBondContact O-N 3.18Å; V202-S204 VanDerWaalsContact C-N 3.3Å; V202-S204 PolarHBondContact O-N 3.25Å; V202-R205 PolarHBondContact O-N 3.43Å; V202-F206 PolarHBondContact O-N 2.92Å
203K90.9Very high90.7Very high77 Ų7762.7 Ų62.734%0.33529%0.292SS..Hα-helixtrans-56.5-41.7176.4-172.6171.9-175.5160.90112.4M195 L198 E199 R205 F206 H208M195-K203 PolarHBondContact O-NZ 2.88Å; L198-K203 HydrophobicContact CB-CB 4.23Å; E199-K203 WeakPolarHBondContact O-CB 3.4Å; E199-K203 PolarHBondContact O-N 3.04Å; K203-R205 PolarHBondContact O-N 3.17Å; K203-F206 PolarHBondContact O-N 3.28Å; K203-H208 PolarHBondContact O-NE2 3Å
204S90.6Very high90.5Very high86 Ų8663.8 Ų63.860%0.60130%0.301SS*.THydrogen-bonded Turntrans-64.9-21.3176.8-176.10000114.1K200 V202K200-S204 WeakPolarHBondContact O-CB 3.16Å; K200-S204 PolarHBondContact O-N 3.39Å; V202-S204 VanDerWaalsContact C-N 3.3Å; V202-S204 PolarHBondContact O-N 3.25Å
205R90Very high90Very high59 Ų5964.4 Ų64.422%0.22331%0.305CS..THydrogen-bonded Turntrans-94.4-17.9-179-70.4174.6156.366.64.1113.8Y170 F173 D174 V202 K203Y170-R205 PolarHBondContact OH-NH2 3.32Å; F173-R205 HydrophobicContact CB-CB 3.89Å; D174-R205 IonicContact OD1-CZ 3.73Å; D174-R205 VanDerWaalsContact OD1-CZ 3.31Å; D174-R205 IonicContact OD1-NE 2.71Å; D174-R205 PolarHBondContact OD1-NE 3.21Å; D174-R205 IonicContact OD1-NH2 3.2Å; D174-R205 PolarHBondContact OD1-NH2 3.34Å; V202-R205 PolarHBondContact O-N 3.43Å; K203-R205 PolarHBondContact O-N 3.17Å
206F89.7Confident89.4Confident5 Ų563.7 Ų63.72%0.02230%0.303CS..SBendtrans-69.2143.5176.9178.4-119.6000110.9S44 L46 F173 M195 V202 K203 H208 R209 Q210S44-F206 WeakPolarHBondContact OG-CD2 3.25Å; L46-F206 HydrophobicContact CB-CZ 4.11Å; L46-F206 HydrophobicContact CD1-CE1 3.97Å; L46-F206 HydrophobicContact CD1-CE2 4.09Å; L46-F206 HydrophobicContact CD1-CZ 3.6Å; L46-F206 HydrophobicContact CG-CE1 4.35Å; L46-F206 HydrophobicContact CG-CE2 3.74Å; L46-F206 HydrophobicContact CG-CZ 3.49Å; L46-F206 VanDerWaalsContact CG-CZ 3.49Å; F173-F206 HydrophobicContact CD2-CB 4.41Å; F173-F206 HydrophobicContact CE1-CD2 4.19Å; F173-F206 HydrophobicContact CE2-CB 4.45Å; F173-F206 HydrophobicContact CE2-CD2 4.28Å; F173-F206 AromaticContact CZ-CD2 3.98Å; F173-F206 HydrophobicContact CZ-CD2 3.98Å; M195-F206 HydrophobicContact CE-CD1 3.81Å; M195-F206 HydrophobicContact CE-CE1 3.93Å; M195-F206 HydrophobicContact SD-CD1 4.12Å; M195-F206 HydrophobicContact SD-CE1 3.94Å; V202-F206 PolarHBondContact O-N 2.92Å; K203-F206 PolarHBondContact O-N 3.28Å; F206-H208 VanDerWaalsContact CD1-CA 3.44Å; F206-H208 HydrophobicContact CD1-CB 4.47Å; F206-H208 PolarHBondContact O-CD2 3.34Å; F206-H208 PolarHBondContact O-N 3.47Å; F206-H208 VanDerWaalsContact O-N 3.09Å; F206-R209 WeakPolarHBondContact CZ-O 3.38Å; F206-Q210 HydrophobicContact CE1-CG 4.4Å
207S85Confident88.8Confident48 Ų4856.1 Ų56.134%0.33627%0.268SS..  trans-72.8-1.2-178.485.70000114.1S44 R209S44-S207 PolarHBondContact O-OG 3.33Å; S44-S207 WeakPolarHBondContact OG-CB 3.36Å; S44-S207 PolarHBondContact OG-N 3.4Å; S207-R209 PolarHBondContact O-N 3.2Å; S207-R209 WeakPolarHBondContact OG-CB 3.27Å; S207-R209 WeakPolarHBondContact OG-CD 3.45Å; S207-R209 VanDerWaalsContact OG-CG 3.24Å; S207-R209 WeakPolarHBondContact OG-CG 3.48Å; S207-R209 PolarHBondContact OG-N 3.26Å
208H87.1Confident88.1Confident108 Ų10855 Ų5550%0.527%0.265SS..  trans61.515-175.3-64.8-86.5000115.1K203 F206K203-H208 PolarHBondContact O-NE2 3Å; F206-H208 VanDerWaalsContact CD1-CA 3.44Å; F206-H208 HydrophobicContact CD1-CB 4.47Å; F206-H208 PolarHBondContact O-CD2 3.34Å; F206-H208 PolarHBondContact O-N 3.47Å; F206-H208 VanDerWaalsContact O-N 3.09Å
209R91Very high87.1Confident86 Ų8656.8 Ų56.833%0.32528%0.277SS..EExtended strand (participates in β ladder)trans-83.2124.6177.1-66174.7-177177.70.4111.8I45 L46 F206 S207I45-R209 WeakPolarHBondContact CA-O 3.5Å; I45-R209 HydrophobicContact CB-CB 4.3Å; I45-R209 HydrophobicContact CD1-CB 4.33Å; I45-R209 HydrophobicContact CG1-CB 4.09Å; L46-R209 PolarHBondContact N-O 3.49Å; F206-R209 WeakPolarHBondContact CZ-O 3.38Å; S207-R209 PolarHBondContact O-N 3.2Å; S207-R209 WeakPolarHBondContact OG-CB 3.27Å; S207-R209 WeakPolarHBondContact OG-CD 3.45Å; S207-R209 VanDerWaalsContact OG-CG 3.24Å; S207-R209 WeakPolarHBondContact OG-CG 3.48Å; S207-R209 PolarHBondContact OG-N 3.26Å
210Q91.4Very high85.7Confident53 Ų5360 Ų6025%0.24830%0.295CS..EExtended strand (participates in β ladder)trans-135.3139.5-179.7-63.7172-4.400111.1L46 I48 M195 F206 Y212L46-Q210 HydrophobicContact CB-CG 4.34Å; L46-Q210 CarbonylContact O-C 3.52Å; L46-Q210 VanDerWaalsContact O-CA 3.25Å; L46-Q210 WeakPolarHBondContact O-CA 3.22Å; I48-Q210 HydrophobicContact CD1-CG 4.36Å; M195-Q210 PolarHBondContact SD-NE2 2.91Å; F206-Q210 HydrophobicContact CE1-CG 4.4Å; Q210-Y212 HydrophobicContact CB-CE2 4.1Å; Q210-Y212 PolarHBondContact OE1-OH 2.88Å
211I91.7Very high84Confident9 Ų956.7 Ų56.75%0.04628%0.282CS..EExtended strand (participates in β ladder)trans-115.7121.2169.9-61.5170.6000107.3E25 Y28 I45 L46 I47 I48 L213E25-I211 HydrophobicContact CB-CG2 3.96Å; E25-I211 HydrophobicContact CG-CG2 3.61Å; Y28-I211 HydrophobicContact CD1-CD1 3.81Å; Y28-I211 HydrophobicContact CD1-CG1 4.04Å; Y28-I211 HydrophobicContact CE1-CD1 4.31Å; Y28-I211 HydrophobicContact CE1-CG1 4.25Å; I45-I211 HydrophobicContact CD1-CD1 3.58Å; I45-I211 HydrophobicContact CD1-CG1 3.83Å; I45-I211 HydrophobicContact CG1-CD1 4.45Å; I45-I211 HydrophobicContact CG1-CG1 4.46Å; L46-I211 PolarHBondContact O-N 3.22Å; I47-I211 CarbonylContact C-O 3.35Å; I47-I211 WeakPolarHBondContact CA-O 3.43Å; I47-I211 HydrophobicContact CG1-CB 4.43Å; I47-I211 HydrophobicContact CG1-CD1 4.4Å; I48-I211 PolarHBondContact N-O 3.1Å; I211-L213 HydrophobicContact CG2-CD2 3.85Å; I211-L213 HydrophobicContact CG2-CG 4.1Å
212Y91.2Very high82.2Confident128 Ų12859.5 Ų59.550%0.50230%0.304SS..EExtended strand (participates in β ladder)trans-91.9117.5171.8-67.1-85000109.1I48 Q210I48-Y212 HydrophobicContact CB-CD1 4.02Å; I48-Y212 HydrophobicContact CB-CE1 4.15Å; I48-Y212 HydrophobicContact CD1-CE1 3.85Å; I48-Y212 HydrophobicContact CG2-CD1 4.12Å; I48-Y212 HydrophobicContact CG2-CE1 4.11Å; I48-Y212 CarbonylContact O-C 3.49Å; I48-Y212 WeakPolarHBondContact O-CA 3.44Å; Q210-Y212 HydrophobicContact CB-CE2 4.1Å; Q210-Y212 PolarHBondContact OE1-OH 2.88Å
213L88.5Confident80.2Confident6 Ų663.8 Ų63.83%0.03133%0.331CS..EExtended strand (participates in β ladder)trans-101.3107.6175.9-66.4-179.7000110.2F22 E25 I47 I48 G49 V53 K55 L58 I211F22-L213 HydrophobicContact CD1-CD2 3.68Å; F22-L213 HydrophobicContact CE1-CD2 3.72Å; E25-L213 HydrophobicContact CB-CD2 4.27Å; E25-L213 HydrophobicContact CG-CD2 3.97Å; I47-L213 HydrophobicContact CG2-CD1 3.27Å; I47-L213 HydrophobicContact CG2-CG 3.77Å; I48-L213 PolarHBondContact O-N 3.04Å; G49-L213 VanDerWaalsContact CA-O 3.32Å; G49-L213 WeakPolarHBondContact CA-O 3.32Å; V53-L213 HydrophobicContact CG2-CB 3.94Å; K55-L213 HydrophobicContact CB-CD1 3.96Å; K55-L213 HydrophobicContact CG-CD1 3.81Å; L58-L213 HydrophobicContact CD2-CD1 3.76Å; L58-L213 HydrophobicContact CD2-CD2 3.9Å; L58-L213 HydrophobicContact CD2-CG 4.37Å; I211-L213 HydrophobicContact CG2-CD2 3.85Å; I211-L213 HydrophobicContact CG2-CG 4.1Å
214T86.4Confident78.1Confident85 Ų8563 Ų6352%0.52133%0.33SS..  trans-92.6144.9168.2-58.70000108.8F22 A218F22-T214 VanDerWaalsContact CE1-O 3.32Å; F22-T214 WeakPolarHBondContact CE1-O 3.44Å; F22-T214 VanDerWaalsContact CZ-O 3.31Å; F22-T214 WeakPolarHBondContact CZ-O 3.43Å; T214-A218 HydrophobicContact CG2-CB 3.74Å
215S83.1Confident75.9Confident12 Ų1261.8 Ų61.88%0.08432%0.322CS..  trans-63.1137172.9-1710000109.2G217 A218 V311S215-G217 PolarHBondContact O-N 3.47Å; S215-G217 VanDerWaalsContact O-N 3.11Å; S215-A218 VanDerWaalsContact O-CB 3.3Å; S215-A218 WeakPolarHBondContact O-CB 3.33Å; S215-A218 PolarHBondContact O-N 3.19Å; S215-V311 WeakPolarHBondContact CB-O 3.26Å; S215-V311 PolarHBondContact OG-O 2.91Å
216P77.2Confident74.1Confident14 Ų1465.1 Ų65.19%0.09134%0.335CS..THydrogen-bonded Turntrans-62.4-23.9-178-20.932.4000113.6Y21 F22 A218 R244 I248 I313Y21-P216 HydrophobicContact CD2-CB 3.55Å; Y21-P216 HydrophobicContact CD2-CG 4Å; Y21-P216 HydrophobicContact CE2-CB 4.27Å; Y21-P216 HydrophobicContact CG-CB 3.95Å; Y21-P216 HydrophobicContact CG-CG 4.5Å; F22-P216 HydrophobicContact CD2-CG 4.49Å; F22-P216 HydrophobicContact CE2-CG 3.68Å; F22-P216 HydrophobicContact CZ-CG 3.71Å; P216-A218 VanDerWaalsContact C-N 3.34Å; P216-R244 WeakPolarHBondContact O-CD 3.4Å; P216-I248 HydrophobicContact CB-CD1 3.88Å; P216-I248 HydrophobicContact CG-CD1 3.94Å; P216-I313 HydrophobicContact CG-CD1 4.43Å
217G77.8Confident71.9Confident0 Ų068.7 Ų68.70%037%0.366CS..THydrogen-bonded Turntrans-87.74.3175.400000114.5S215 P241 W307 V311S215-G217 PolarHBondContact O-N 3.47Å; S215-G217 VanDerWaalsContact O-N 3.11Å; G217-P241 WeakPolarHBondContact CA-O 3.23Å; G217-P241 WeakPolarHBondContact O-CB 3.41Å; G217-W307 PolarHBondContact O-NE1 3.2Å; G217-V311 WeakPolarHBondContact O-CG1 3.5Å
218A78.7Confident69.8Low19 Ų1970.9 Ų70.916%0.15738%0.381CS..SBendtrans-83.3138.2-176.700000109.7T214 S215 P216 I220 V311T214-A218 HydrophobicContact CG2-CB 3.74Å; S215-A218 VanDerWaalsContact O-CB 3.3Å; S215-A218 WeakPolarHBondContact O-CB 3.33Å; S215-A218 PolarHBondContact O-N 3.19Å; P216-A218 VanDerWaalsContact C-N 3.34Å; A218-I220 PolarHBondContact O-N 2.91Å; A218-V311 HydrophobicContact CB-CG1 4.08Å; A218-V311 VanDerWaalsContact N-CG1 3.3Å
219P71.1Confident67.3Low45 Ų4572.1 Ų72.129%0.29239%0.392SS..  trans-61.3126.1170.426.3-32000108.8D224 P241P219-D224 HydrophobicContact CB-CB 3.58Å; P219-P241 HydrophobicContact CB-CG 4.5Å
220I64Low64.9Low128 Ų12876.4 Ų76.466%0.65642%0.421SS*.SBendtrans-85.3-30.2-178.2-59.2171000109.8A218A218-I220 PolarHBondContact O-N 2.91Å
221E55.9Low62.4Low126 Ų12680.3 Ų80.359%0.58944%0.444SS*.SBendtrans-119.8150.4-177.4-63.3-177.6-178.300111.3T223 D224E221-T223 VanDerWaalsContact CB-OG1 3.22Å; E221-T223 WeakPolarHBondContact CB-OG1 3.5Å; E221-T223 PolarHBondContact O-N 3.11Å; E221-T223 VanDerWaalsContact O-N 3.1Å; E221-T223 PolarHBondContact OE2-OG1 3.26Å; E221-D224 PolarHBondContact O-N 3.03Å
222N52.2Low59.7Low155 Ų15587.5 Ų87.583%0.82948%0.482SS*.G310 helixtrans-60.5-18.9177.2-67.6-21.7000112.9D224 S225N222-D224 VanDerWaalsContact C-N 3.33Å; N222-S225 VanDerWaalsContact O-CB 3.3Å; N222-S225 WeakPolarHBondContact O-CB 3.21Å; N222-S225 PolarHBondContact O-N 3.38Å; N222-S225 PolarHBondContact O-OG 3.47Å
223T49.7Very low57.1Low91 Ų9188.3 Ų88.356%0.55850%0.495SS*.G310 helixtrans-69.8-26.617542.50000113.1E221 S225E221-T223 VanDerWaalsContact CB-OG1 3.22Å; E221-T223 WeakPolarHBondContact CB-OG1 3.5Å; E221-T223 PolarHBondContact O-N 3.11Å; E221-T223 VanDerWaalsContact O-N 3.1Å; E221-T223 PolarHBondContact OE2-OG1 3.26Å; T223-S225 VanDerWaalsContact C-N 3.3Å
224D47.8Very low55Low59 Ų5996.3 Ų96.332%0.31653%0.532SS..G310 helixtrans-91.17.8176.3-69-26.3000112.6P219 E221 N222 P241P219-D224 HydrophobicContact CB-CB 3.58Å; E221-D224 PolarHBondContact O-N 3.03Å; N222-D224 VanDerWaalsContact C-N 3.33Å; D224-P241 HydrophobicContact CB-CG 4.41Å
225S45Very low52.8Low62 Ų6299.5 Ų99.543%0.43455%0.546SS..SBendtrans-62.7148.6173.165.10000110.3N222 T223 A227N222-S225 VanDerWaalsContact O-CB 3.3Å; N222-S225 WeakPolarHBondContact O-CB 3.21Å; N222-S225 PolarHBondContact O-N 3.38Å; N222-S225 PolarHBondContact O-OG 3.47Å; T223-S225 VanDerWaalsContact C-N 3.3Å; S225-A227 PolarHBondContact O-N 2.65Å
226Y52.5Low50.9Low128 Ų128106.8 Ų106.850%0.50258%0.584SS.*THydrogen-bonded Turntrans-52.11.5-172.7-73.3-92.1000116.9W307 S308Y226-W307 HydrophobicContact CD1-CE3 4.47Å; Y226-W307 HydrophobicContact CD1-CH2 4.34Å; Y226-W307 AromaticContact CD1-CZ3 3.79Å; Y226-W307 HydrophobicContact CD1-CZ3 3.79Å; Y226-W307 HydrophobicContact CE1-CD2 4.29Å; Y226-W307 AromaticContact CE1-CE3 3.4Å; Y226-W307 HydrophobicContact CE1-CE3 3.4Å; Y226-W307 VanDerWaalsContact CE1-CE3 3.4Å; Y226-W307 AromaticContact CE1-CH2 3.7Å; Y226-W307 HydrophobicContact CE1-CH2 3.7Å; Y226-W307 AromaticContact CE1-CZ3 3.05Å; Y226-W307 HydrophobicContact CE1-CZ3 3.05Å; Y226-W307 HydrophobicContact CE2-CH2 4.25Å; Y226-W307 HydrophobicContact CE2-CZ3 4.4Å; Y226-W307 AromaticContact CZ-CE3 3.66Å; Y226-W307 AromaticContact CZ-CH2 3.61Å; Y226-W307 AromaticContact CZ-CZ3 3.41Å; Y226-W307 VanDerWaalsContact CZ-CZ3 3.41Å; Y226-W307 VanDerWaalsContact OH-CD2 3.3Å; Y226-W307 VanDerWaalsContact OH-CE3 3.27Å; Y226-W307 WeakPolarHBondContact OH-CZ3 3.46Å; Y226-W307 PolarHBondContact OH-O 2.76Å; Y226-S308 WeakPolarHBondContact OH-CA 3.46Å
227A42Very low49.6Very low80 Ų80110.6 Ų110.666%0.66161%0.611SS**THydrogen-bonded Turntrans-140.536.4-167.500000114.2S225 N229S225-A227 PolarHBondContact O-N 2.65Å; A227-N229 VanDerWaalsContact C-N 3.26Å; A227-N229 PolarHBondContact O-N 3.39Å
228S40.6Very low48.6Very low95 Ų95115.7 Ų115.766%0.66463%0.63SS**SBendtrans-73.489.2163.1-158.50000109.9
229N34.4Very low48.3Very low134 Ų134116.8 Ų116.872%0.71764%0.637SS**  trans40.7117152.4-65.6-29.6000119.6A227 N231A227-N229 VanDerWaalsContact C-N 3.26Å; A227-N229 PolarHBondContact O-N 3.39Å; N229-N231 PolarHBondContact O-N 3.43Å
230N40.7Very low48.9Very low176 Ų176118.9 Ų118.994%0.94164%0.643SS**THydrogen-bonded Turntrans-54.326.5170-80.4-22.7000117.3
231N39.1Very low49.9Very low135 Ų135113 Ų11372%0.72261%0.613SS**THydrogen-bonded Turntrans-125.7-1.4-174.6-81.4-12.1000117N229 N233N229-N231 PolarHBondContact O-N 3.43Å; N231-N233 PolarHBondContact O-N 2.83Å
232D35.6Very low51.4Low159 Ų159107.5 Ų107.585%0.8559%0.587SS**  trans-94.989.5172.4-70.6-21.6000110.6H234D232-H234 PolarHBondContact O-N 3.04Å
233N37.1Very low53.1Low146 Ų146103.4 Ų103.478%0.78156%0.561SS**  trans-49.5127.3162.3-73.4-46.1000110.2N231N231-N233 PolarHBondContact O-N 2.83Å
234H43.3Very low54.9Low173 Ų173102.3 Ų102.380%0.80155%0.547SS*.SBendtrans55.380.7165.2-63.4-69.8000116.2D232D232-H234 PolarHBondContact O-N 3.04Å
235D40Very low56.8Low152 Ų15299.7 Ų99.781%0.81353%0.533SS*.  trans-158.6130.6135.7-100.5-29.8000113.6S237D235-S237 PolarHBondContact O-N 3.1Å
236N44.4Very low59Low165 Ų16597.1 Ų97.188%0.88252%0.515SS*.  trans-68.533.8-178.4-84.7-41.8000114.1R238N236-R238 VanDerWaalsContact C-N 3.27Å; N236-R238 PolarHBondContact O-N 2.84Å
237S49Very low60.7Low94 Ų9496 Ų9666%0.65751%0.514SS*.  trans-76.982.1173.965.60000109.2D235 S239D235-S237 PolarHBondContact O-N 3.1Å; S237-S239 PolarHBondContact O-N 3.37Å; S237-S239 VanDerWaalsContact O-N 3.08Å
238R57.3Low63Low107 Ų10792.7 Ų92.740%0.40449%0.485SS..  trans-41.7124161.3-63.4171.9178.1174.3-2.6106.7N236 E240 F242 K243 I300N236-R238 VanDerWaalsContact C-N 3.27Å; N236-R238 PolarHBondContact O-N 2.84Å; R238-E240 PolarHBondContact O-N 3.35Å; R238-E240 VanDerWaalsContact O-N 3.14Å; R238-F242 HydrophobicContact CB-CD1 4.41Å; R238-K243 HydrophobicContact CB-CD 4.15Å; R238-K243 HydrophobicContact CB-CG 3.53Å; R238-K243 HydrophobicContact CG-CG 4.42Å; R238-K243 WeakPolarHBondContact O-CE 3.36Å; R238-I300 VanDerWaalsContact NH2-CD1 3.3Å
239S73.2Confident65.4Low43 Ų4388.2 Ų88.230%0.30145%0.454SS..  trans-47.4125.9176.754.10000108.5S237 P241 F242 K243S237-S239 PolarHBondContact O-N 3.37Å; S237-S239 VanDerWaalsContact O-N 3.08Å; S239-P241 VanDerWaalsContact O-N 3.11Å; S239-F242 WeakPolarHBondContact O-CA 3.43Å; S239-F242 WeakPolarHBondContact O-CB 3.26Å; S239-F242 PolarHBondContact O-N 3.49Å; S239-F242 VanDerWaalsContact OG-CB 3.26Å; S239-F242 WeakPolarHBondContact OG-CB 3.4Å; S239-K243 PolarHBondContact O-N 3.04Å
240E82.5Confident68.1Low89 Ų8985.2 Ų85.242%0.41643%0.434SS..Hα-helixtrans-47.7-40.3-174.5175.862.5-164.600113.5R238 F242 K243 R244R238-E240 PolarHBondContact O-N 3.35Å; R238-E240 VanDerWaalsContact O-N 3.14Å; E240-F242 VanDerWaalsContact C-N 3.35Å; E240-F242 PolarHBondContact O-N 3.28Å; E240-K243 WeakPolarHBondContact O-CB 3.24Å; E240-K243 PolarHBondContact O-N 3.29Å; E240-R244 PolarHBondContact O-N 3.03Å; E240-R244 IonicContact OE1-CZ 2.99Å; E240-R244 IonicContact OE1-NE 2.73Å; E240-R244 PolarHBondContact OE1-NE 3.18Å; E240-R244 VanDerWaalsContact OE1-NE 3.15Å; E240-R244 IonicContact OE1-NH2 2.72Å; E240-R244 PolarHBondContact OE1-NH2 2.64Å; E240-R244 VanDerWaalsContact OE1-NH2 3.14Å
241P84.7Confident70.4Confident5 Ų578 Ų783%0.03240%0.395CS..Hα-helixtrans-62-37.1174.9-22.333.2000114.1G217 P219 D224 S239 R244 F245 W307G217-P241 WeakPolarHBondContact CA-O 3.23Å; G217-P241 WeakPolarHBondContact O-CB 3.41Å; P219-P241 HydrophobicContact CB-CG 4.5Å; D224-P241 HydrophobicContact CB-CG 4.41Å; S239-P241 VanDerWaalsContact O-N 3.11Å; P241-R244 PolarHBondContact O-N 2.74Å; P241-F245 PolarHBondContact O-N 3.46Å; P241-W307 HydrophobicContact CB-CZ2 4.27Å
242F88.1Confident72.7Confident9 Ų971.7 Ų71.74%0.03936%0.361CS..Hα-helixtrans-69.2-38.1177.3178.7-114000111.5R238 S239 E240 R244 F245 C246 I300 L303 R304 W307R238-F242 HydrophobicContact CB-CD1 4.41Å; S239-F242 WeakPolarHBondContact O-CA 3.43Å; S239-F242 WeakPolarHBondContact O-CB 3.26Å; S239-F242 PolarHBondContact O-N 3.49Å; S239-F242 VanDerWaalsContact OG-CB 3.26Å; S239-F242 WeakPolarHBondContact OG-CB 3.4Å; E240-F242 VanDerWaalsContact C-N 3.35Å; E240-F242 PolarHBondContact O-N 3.28Å; F242-R244 VanDerWaalsContact C-N 3.3Å; F242-R244 PolarHBondContact O-N 3.16Å; F242-F245 HydrophobicContact CE2-CD1 4.46Å; F242-F245 WeakPolarHBondContact O-CB 3.19Å; F242-F245 PolarHBondContact O-N 3.41Å; F242-F245 VanDerWaalsContact O-N 3.14Å; F242-C246 VanDerWaalsContact CZ-SG 3.5Å; F242-C246 PolarHBondContact O-N 3.46Å; F242-C246 PolarHBondContact O-SG 3.04Å; F242-I300 HydrophobicContact CE1-CG2 4.12Å; F242-I300 HydrophobicContact CZ-CG2 4.21Å; F242-L303 HydrophobicContact CE2-CB 4.32Å; F242-L303 HydrophobicContact CZ-CB 4.4Å; F242-R304 HydrophobicContact CE2-CB 3.94Å; F242-R304 HydrophobicContact CZ-CB 3.78Å; F242-W307 HydrophobicContact CB-CD2 4.41Å; F242-W307 HydrophobicContact CB-CE3 4.42Å; F242-W307 HydrophobicContact CB-CZ3 4.46Å; F242-W307 HydrophobicContact CD2-CB 4.09Å; F242-W307 AromaticContact CD2-CD2 3.93Å; F242-W307 HydrophobicContact CD2-CD2 3.93Å; F242-W307 HydrophobicContact CD2-CE3 4.02Å; F242-W307 AromaticContact CD2-CG 3.95Å; F242-W307 HydrophobicContact CD2-CG 3.95Å; F242-W307 HydrophobicContact CE2-CB 4.27Å
243K87.7Confident75.3Confident69 Ų6964.1 Ų64.130%0.332%0.321SS..Hα-helixtrans-57.2-45.5173.1-67.6-179.3-179.7168.10111R238 S239 E240 F245 C246 E247R238-K243 HydrophobicContact CB-CD 4.15Å; R238-K243 HydrophobicContact CB-CG 3.53Å; R238-K243 HydrophobicContact CG-CG 4.42Å; R238-K243 WeakPolarHBondContact O-CE 3.36Å; S239-K243 PolarHBondContact O-N 3.04Å; E240-K243 WeakPolarHBondContact O-CB 3.24Å; E240-K243 PolarHBondContact O-N 3.29Å; K243-F245 VanDerWaalsContact C-N 3.32Å; K243-F245 PolarHBondContact O-N 3.04Å; K243-C246 WeakPolarHBondContact O-CB 3.47Å; K243-C246 PolarHBondContact O-N 3.18Å; K243-E247 WeakPolarHBondContact O-CG 3.46Å; K243-E247 PolarHBondContact O-N 3.18Å
244R87.2Confident77.8Confident69 Ų6957.9 Ų57.926%0.2629%0.289SS..Hα-helixtrans-61.6-39.3175.7-64.4178.5-171.7172.12.6112.5Y21 P216 E240 P241 F242 C246 E247 I248Y21-R244 HydrophobicContact CE1-CB 4.44Å; Y21-R244 HydrophobicContact CE1-CG 3.92Å; Y21-R244 HydrophobicContact CE2-CB 4.23Å; P216-R244 WeakPolarHBondContact O-CD 3.4Å; E240-R244 PolarHBondContact O-N 3.03Å; E240-R244 IonicContact OE1-CZ 2.99Å; E240-R244 IonicContact OE1-NE 2.73Å; E240-R244 PolarHBondContact OE1-NE 3.18Å; E240-R244 VanDerWaalsContact OE1-NE 3.15Å; E240-R244 IonicContact OE1-NH2 2.72Å; E240-R244 PolarHBondContact OE1-NH2 2.64Å; E240-R244 VanDerWaalsContact OE1-NH2 3.14Å; P241-R244 PolarHBondContact O-N 2.74Å; F242-R244 VanDerWaalsContact C-N 3.3Å; F242-R244 PolarHBondContact O-N 3.16Å; R244-C246 VanDerWaalsContact C-N 3.35Å; R244-C246 PolarHBondContact O-N 3.45Å; R244-E247 PolarHBondContact O-N 3.22Å; R244-I248 VanDerWaalsContact O-CG1 3.3Å; R244-I248 WeakPolarHBondContact O-CG1 3.22Å; R244-I248 PolarHBondContact O-N 3.36Å
245F89Confident79.8Confident4 Ų449.6 Ų49.62%0.01825%0.25CS..Hα-helixtrans-61.3-43.6175-174-99.8000112P241 F242 K243 I248 C249 L303 W307 L316P241-F245 PolarHBondContact O-N 3.46Å; F242-F245 HydrophobicContact CE2-CD1 4.46Å; F242-F245 WeakPolarHBondContact O-CB 3.19Å; F242-F245 PolarHBondContact O-N 3.41Å; F242-F245 VanDerWaalsContact O-N 3.14Å; K243-F245 VanDerWaalsContact C-N 3.32Å; K243-F245 PolarHBondContact O-N 3.04Å; F245-I248 PolarHBondContact O-N 3.29Å; F245-C249 PolarHBondContact O-N 3.18Å; F245-L303 HydrophobicContact CE1-CB 4.46Å; F245-L303 HydrophobicContact CE1-CD2 4.15Å; F245-W307 HydrophobicContact CD1-CB 4.01Å; F245-W307 HydrophobicContact CD1-CG 4.37Å; F245-W307 AromaticContact CD2-CD1 3.89Å; F245-W307 HydrophobicContact CE1-CB 4Å; F245-W307 HydrophobicContact CG-CB 4.45Å; F245-W307 AromaticContact CG-CD1 3.74Å; F245-W307 HydrophobicContact CG-CG 4.37Å; F245-W307 HydrophobicContact CZ-CB 4.42Å; F245-L316 HydrophobicContact CD2-CD2 4.37Å; F245-L316 HydrophobicContact CE1-CD1 4.06Å; F245-L316 HydrophobicContact CE1-CD2 4.47Å; F245-L316 HydrophobicContact CE2-CB 4.01Å; F245-L316 HydrophobicContact CE2-CD2 3.92Å; F245-L316 HydrophobicContact CE2-CG 4.38Å; F245-L316 HydrophobicContact CZ-CB 3.9Å; F245-L316 HydrophobicContact CZ-CD1 3.79Å; F245-L316 HydrophobicContact CZ-CD2 3.99Å; F245-L316 HydrophobicContact CZ-CG 4.1Å
246C90.4Very high81.7Confident8 Ų845.5 Ų45.55%0.05423%0.228CC..Hα-helixtrans-64.5-40.5173.9-68.10000112.2F242 K243 R244 I248 C249 K250 M294F242-C246 VanDerWaalsContact CZ-SG 3.5Å; F242-C246 PolarHBondContact O-N 3.46Å; F242-C246 PolarHBondContact O-SG 3.04Å; K243-C246 WeakPolarHBondContact O-CB 3.47Å; K243-C246 PolarHBondContact O-N 3.18Å; R244-C246 VanDerWaalsContact C-N 3.35Å; R244-C246 PolarHBondContact O-N 3.45Å; C246-I248 VanDerWaalsContact C-N 3.33Å; C246-I248 PolarHBondContact O-N 3.46Å; C246-C249 WeakPolarHBondContact O-CB 3.17Å; C246-C249 PolarHBondContact O-N 2.85Å; C246-K250 PolarHBondContact O-N 3.06Å; C246-M294 HydrophobicContact CB-CE 3.77Å; C246-M294 WeakPolarHBondContact O-CE 3.42Å
247E89.1Confident82.8Confident104 Ų10441 Ų4149%0.48620%0.203SC..Hα-helixtrans-62.3-39.2175.6-75173.6-16800112.1Y21 K243 R244 K250 H251Y21-E247 VanDerWaalsContact OH-CB 3.31Å; Y21-E247 WeakPolarHBondContact OH-CB 3.26Å; Y21-E247 PolarHBondContact OH-OE2 3.37Å; K243-E247 WeakPolarHBondContact O-CG 3.46Å; K243-E247 PolarHBondContact O-N 3.18Å; R244-E247 PolarHBondContact O-N 3.22Å; E247-K250 WeakPolarHBondContact O-CB 3.38Å; E247-K250 PolarHBondContact O-N 3.39Å; E247-H251 WeakPolarHBondContact O-CB 3.1Å; E247-H251 PolarHBondContact O-N 3.13Å
248I89.4Confident83.6Confident11 Ų1143.7 Ų43.76%0.05621%0.205CC..Hα-helixtrans-62.1-45.8172.3-67.1166.8000110.4L20 Y21 P216 R244 F245 C246 K250 H251 L252 I313 L316L20-I248 HydrophobicContact CD1-CG1 4.44Å; Y21-I248 HydrophobicContact CD2-CD1 4.34Å; Y21-I248 HydrophobicContact CD2-CG1 4.38Å; Y21-I248 HydrophobicContact CE2-CD1 4.13Å; Y21-I248 HydrophobicContact CE2-CG1 3.84Å; P216-I248 HydrophobicContact CB-CD1 3.88Å; P216-I248 HydrophobicContact CG-CD1 3.94Å; R244-I248 VanDerWaalsContact O-CG1 3.3Å; R244-I248 WeakPolarHBondContact O-CG1 3.22Å; R244-I248 PolarHBondContact O-N 3.36Å; F245-I248 PolarHBondContact O-N 3.29Å; C246-I248 VanDerWaalsContact C-N 3.33Å; C246-I248 PolarHBondContact O-N 3.46Å; I248-K250 VanDerWaalsContact C-N 3.34Å; I248-K250 PolarHBondContact O-N 2.79Å; I248-H251 PolarHBondContact O-N 3.41Å; I248-L252 HydrophobicContact CG2-CD1 3.91Å; I248-L252 HydrophobicContact CG2-CG 4.22Å; I248-L252 VanDerWaalsContact O-CG 3.28Å; I248-L252 WeakPolarHBondContact O-CG 3.35Å; I248-L252 PolarHBondContact O-N 2.84Å; I248-I313 HydrophobicContact CG2-CG2 4.41Å; I248-L316 HydrophobicContact CB-CD2 4.37Å; I248-L316 HydrophobicContact CG2-CD2 3.86Å
249C91.1Very high83.9Confident0 Ų040.4 Ų40.40%020%0.196CC..Hα-helixtrans-58-47.1176.6-175.10000111.6F245 C246 H251 L252 L253 M294 L303 L316F245-C249 PolarHBondContact O-N 3.18Å; C246-C249 WeakPolarHBondContact O-CB 3.17Å; C246-C249 PolarHBondContact O-N 2.85Å; C249-H251 VanDerWaalsContact C-N 3.31Å; C249-H251 PolarHBondContact O-N 2.76Å; C249-L252 PolarHBondContact O-N 3.32Å; C249-L253 PolarHBondContact O-N 2.72Å; C249-M294 HydrophobicContact CB-CE 4.19Å; C249-M294 HydrophobicContact CB-SD 4.46Å; C249-L303 HydrophobicContact CB-CD1 4.25Å; C249-L303 HydrophobicContact CB-CD2 4.28Å; C249-L316 HydrophobicContact CB-CD1 4.16Å; C249-L316 HydrophobicContact CB-CD2 4.1Å
250K91.4Very high83.3Confident71 Ų7138.6 Ų38.631%0.30918%0.183SC..Hα-helixtrans-55.1-47.4174.4-177.4-177172.4179.90110.9C246 E247 I248 L252 L253 S254 I290 E291 M294C246-K250 PolarHBondContact O-N 3.06Å; E247-K250 WeakPolarHBondContact O-CB 3.38Å; E247-K250 PolarHBondContact O-N 3.39Å; I248-K250 VanDerWaalsContact C-N 3.34Å; I248-K250 PolarHBondContact O-N 2.79Å; K250-L252 PolarHBondContact O-N 3.22Å; K250-L253 PolarHBondContact O-N 2.9Å; K250-S254 WeakPolarHBondContact O-CB 3.46Å; K250-S254 PolarHBondContact O-N 3.39Å; K250-S254 PolarHBondContact O-OG 2.85Å; K250-I290 HydrophobicContact CG-CG2 4.21Å; K250-E291 VanDerWaalsContact CE-CG 3.44Å; K250-E291 WeakPolarHBondContact CE-OE1 3.19Å; K250-E291 VanDerWaalsContact NZ-CG 3.32Å; K250-E291 IonicContact NZ-OE1 3.76Å; K250-E291 PolarHBondContact NZ-OE1 2.83Å; K250-M294 HydrophobicContact CB-CE 4.4Å; K250-M294 HydrophobicContact CB-CG 4.01Å; K250-M294 HydrophobicContact CB-SD 4.39Å; K250-M294 HydrophobicContact CG-CG 4.24Å
251H88.1Confident81.9Confident26 Ų2639.6 Ų39.612%0.1219%0.19CC..Hα-helixtrans-69-32.2-178.2-17568.1000114K11 R18 L20 E247 I248 C249 L253 S254K11-H251 WeakPolarHBondContact CE-O 3.4Å; K11-H251 PolarHBondContact NZ-O 2.71Å; R18-H251 WeakPolarHBondContact CB-NE2 3.37Å; L20-H251 HydrophobicContact CD1-CB 3.48Å; L20-H251 VanDerWaalsContact CD1-CB 3.48Å; E247-H251 WeakPolarHBondContact O-CB 3.1Å; E247-H251 PolarHBondContact O-N 3.13Å; I248-H251 PolarHBondContact O-N 3.41Å; C249-H251 VanDerWaalsContact C-N 3.31Å; C249-H251 PolarHBondContact O-N 2.76Å; H251-L253 VanDerWaalsContact C-N 3.3Å; H251-S254 WeakPolarHBondContact CA-OG 3.46Å; H251-S254 PolarHBondContact O-OG 3.14Å
252L88.8Confident80.5Confident1 Ų143.1 Ų43.11%0.00521%0.213CC..Hα-helixtrans-67.5-32.6175.2-72.3172.8000111.8L12 H17 I248 C249 K250 L316 I317 L320L12-L252 HydrophobicContact CD2-CB 4.18Å; L12-L252 HydrophobicContact CD2-CD2 4.32Å; H17-L252 HydrophobicContact CB-CD2 3.82Å; I248-L252 HydrophobicContact CG2-CD1 3.91Å; I248-L252 HydrophobicContact CG2-CG 4.22Å; I248-L252 VanDerWaalsContact O-CG 3.28Å; I248-L252 WeakPolarHBondContact O-CG 3.35Å; I248-L252 PolarHBondContact O-N 2.84Å; C249-L252 PolarHBondContact O-N 3.32Å; K250-L252 PolarHBondContact O-N 3.22Å; L252-L316 HydrophobicContact CD1-CD2 3.93Å; L252-L316 HydrophobicContact CD1-CG 4.12Å; L252-I317 HydrophobicContact CD1-CG1 3.96Å; L252-I317 HydrophobicContact CD2-CG1 4.42Å; L252-L320 HydrophobicContact CB-CD1 3.73Å; L252-L320 HydrophobicContact CD1-CD1 3.89Å; L252-L320 HydrophobicContact CG-CD1 4.48Å
253L90.4Very high78.7Confident0 Ų046.5 Ų46.50%023%0.229CC..Hα-helixtrans-91.5-19178.1-66.1176000114L8 C249 K250 H251 W286 I290 L320 V324 I334 F339L8-L253 WeakPolarHBondContact CD2-O 3.5Å; C249-L253 PolarHBondContact O-N 2.72Å; K250-L253 PolarHBondContact O-N 2.9Å; H251-L253 VanDerWaalsContact C-N 3.3Å; L253-W286 PolarHBondContact O-NE1 3.11Å; L253-I290 HydrophobicContact CB-CD1 4Å; L253-I290 HydrophobicContact CB-CG1 4.25Å; L253-I290 HydrophobicContact CB-CG2 3.99Å; L253-I290 HydrophobicContact CD1-CD1 4.44Å; L253-L320 HydrophobicContact CD1-CD2 4.11Å; L253-L320 HydrophobicContact CD2-CD1 4.25Å; L253-L320 HydrophobicContact CD2-CD2 4.24Å; L253-L320 HydrophobicContact CG-CD1 4.15Å; L253-L320 HydrophobicContact CG-CD2 4.32Å; L253-V324 HydrophobicContact CD2-CG2 3.89Å; L253-I334 HydrophobicContact CD1-CD1 4.33Å; L253-I334 HydrophobicContact CD2-CD1 4.05Å; L253-F339 HydrophobicContact CD1-CZ 4.07Å
254S88.8Confident77.1Confident15 Ų1544.5 Ų44.511%0.10522%0.222CC..  trans-77.2147.7175.370.30000111.3K11 K250 H251 N287K11-S254 PolarHBondContact NZ-O 3.35Å; K250-S254 WeakPolarHBondContact O-CB 3.46Å; K250-S254 PolarHBondContact O-N 3.39Å; K250-S254 PolarHBondContact O-OG 2.85Å; H251-S254 WeakPolarHBondContact CA-OG 3.46Å; H251-S254 PolarHBondContact O-OG 3.14Å; S254-N287 WeakPolarHBondContact CA-OD1 3.46Å
255V84.7Confident75.4Confident0 Ų044 Ų440%023%0.229CC..  trans-117.9128.6177.3-1800000109.4I4 V7 L8 I283 N287I4-V255 HydrophobicContact CG2-CG2 4.01Å; V7-V255 HydrophobicContact CG1-CG1 4Å; L8-V255 HydrophobicContact CD1-CG2 4.42Å; L8-V255 HydrophobicContact CD2-CG2 3.53Å; L8-V255 HydrophobicContact CG-CG2 3.78Å; V255-I283 WeakPolarHBondContact O-CG2 3.42Å; V255-N287 PolarHBondContact N-OD1 2.89Å; V255-N287 PolarHBondContact O-ND2 3.12Å
256D79.6Confident73.7Confident65 Ų6547.8 Ų47.835%0.34825%0.254SS..  trans-107.2148.9172.8-69.8-31.3000110.4H258 D259D256-H258 PolarHBondContact O-N 2.92Å; D256-D259 WeakPolarHBondContact O-CB 3.32Å; D256-D259 PolarHBondContact O-N 3.1Å; D256-D259 VanDerWaalsContact O-N 3.1Å
257I69.3Low71.9Confident70 Ų7052.3 Ų52.336%0.35928%0.277SS..Hα-helixtrans-62.2-33.8-179.1-59.8162.7000111.1D259 L260 E280 I283I257-D259 VanDerWaalsContact C-N 3.3Å; I257-D259 PolarHBondContact O-N 2.8Å; I257-L260 HydrophobicContact CG2-CD1 4.41Å; I257-L260 VanDerWaalsContact O-CB 3.25Å; I257-L260 WeakPolarHBondContact O-CB 3.44Å; I257-L260 WeakPolarHBondContact O-CG 3.31Å; I257-L260 PolarHBondContact O-N 3.36Å; I257-E280 HydrophobicContact CD1-CG 3.76Å; I257-I283 HydrophobicContact CG1-CD1 3.98Å
258H65.1Low70.1Confident151 Ų15148.8 Ų48.870%0.69926%0.261SS*.Hα-helixtrans-68.2-26.3177.9-65.9-67.2000113.5D256 L260 L261D256-H258 PolarHBondContact O-N 2.92Å; H258-L260 PolarHBondContact O-N 3.46Å; H258-L261 PolarHBondContact O-N 2.97Å
259D63.8Low68.5Low39 Ų3953.7 Ų53.721%0.20930%0.295CS..Hα-helixtrans-66.5-23.5176-71-14.9000111.3K11 D256 I257K11-D259 IonicContact NZ-OD2 2.83Å; K11-D259 PolarHBondContact NZ-OD2 3.01Å; K11-D259 VanDerWaalsContact NZ-OD2 3.1Å; D256-D259 WeakPolarHBondContact O-CB 3.32Å; D256-D259 PolarHBondContact O-N 3.1Å; D256-D259 VanDerWaalsContact O-N 3.1Å; I257-D259 VanDerWaalsContact C-N 3.3Å; I257-D259 PolarHBondContact O-N 2.8Å
260L59.9Low67Low5 Ų561.5 Ų61.53%0.02633%0.329CS..Hα-helixtrans-74.2-30.8178.9-53.3170.8000112.6V7 I257 H258 Q263 L264 L268 L279 I283V7-L260 HydrophobicContact CB-CD2 4.15Å; V7-L260 HydrophobicContact CG1-CD2 3.98Å; V7-L260 HydrophobicContact CG2-CD2 3.27Å; I257-L260 HydrophobicContact CG2-CD1 4.41Å; I257-L260 VanDerWaalsContact O-CB 3.25Å; I257-L260 WeakPolarHBondContact O-CB 3.44Å; I257-L260 WeakPolarHBondContact O-CG 3.31Å; I257-L260 PolarHBondContact O-N 3.36Å; H258-L260 PolarHBondContact O-N 3.46Å; L260-Q263 PolarHBondContact O-N 3.34Å; L260-L264 HydrophobicContact CB-CD1 4.4Å; L260-L264 HydrophobicContact CD2-CD1 4.02Å; L260-L264 PolarHBondContact O-N 3.04Å; L260-L264 VanDerWaalsContact O-N 3.11Å; L260-L268 HydrophobicContact CB-CD1 3.87Å; L260-L279 HydrophobicContact CD1-CD2 4.09Å; L260-I283 HydrophobicContact CD1-CD1 3.97Å
261L52.6Low65.5Low109 Ų10961.2 Ų61.257%0.57133%0.331SS*.THydrogen-bonded Turntrans-65.2-38.9-162-16565.3000115.1H258H258-L261 PolarHBondContact O-N 2.97Å
262P55.9Low64.7Low79 Ų7964.8 Ų64.851%0.51335%0.351SS..THydrogen-bonded Turntrans-76.8-22.7-178.1-14.829.8000114.1
263Q51.4Low64Low81 Ų8169.3 Ų69.338%0.37938%0.382SS..THydrogen-bonded Turntrans-112.5-25.6-164.3-59.7-171.570.400113.2Q16 L260Q16-Q263 VanDerWaalsContact NE2-OE1 3.16Å; Q16-Q263 VanDerWaalsContact OE1-CD 3.29Å; Q16-Q263 VanDerWaalsContact OE1-OE1 3.11Å; L260-Q263 PolarHBondContact O-N 3.34Å
264L52.4Low63.4Low26 Ų2677.4 Ų77.414%0.13642%0.417CS..SBendtrans-111.513.8177.7-64165.6000112.1L3 V7 L260 P266 L267 L268L3-L264 HydrophobicContact CD1-CD1 3.58Å; L3-L264 HydrophobicContact CD1-CD2 4.12Å; L3-L264 HydrophobicContact CD1-CG 4.49Å; L3-L264 HydrophobicContact CD2-CD1 4.28Å; L3-L264 HydrophobicContact CG-CD1 3.99Å; V7-L264 HydrophobicContact CG2-CD1 3.94Å; L260-L264 HydrophobicContact CB-CD1 4.4Å; L260-L264 HydrophobicContact CD2-CD1 4.02Å; L260-L264 PolarHBondContact O-N 3.04Å; L260-L264 VanDerWaalsContact O-N 3.11Å; L264-P266 WeakPolarHBondContact O-CD 3.3Å; L264-L267 HydrophobicContact CD2-CD1 3.82Å; L264-L267 PolarHBondContact O-N 2.88Å; L264-L268 HydrophobicContact CB-CD1 3.8Å; L264-L268 HydrophobicContact CB-CG 3.92Å; L264-L268 PolarHBondContact O-N 3.32Å
265S52.6Low62.8Low59 Ų5980.3 Ų80.341%0.41343%0.429SS..Hα-helixtrans-46.8-32.7176.761.80000114.7C269S265-C269 WeakPolarHBondContact O-CB 3.38Å; S265-C269 PolarHBondContact O-SG 3.08Å
266P53.5Low62.5Low84 Ų8483.6 Ų83.655%0.54545%0.445SS..Hα-helixtrans-75.8-25.7175.2-12.929.6000114.3L264L264-P266 WeakPolarHBondContact O-CD 3.3Å
267L51.1Low62.5Low103 Ų10389.1 Ų89.154%0.53946%0.461SS..Hα-helixtrans-94.5-41.9-176.6-71.2170.4000111.5L264 C269 K270 L271L264-L267 HydrophobicContact CD2-CD1 3.82Å; L264-L267 PolarHBondContact O-N 2.88Å; L267-C269 VanDerWaalsContact C-N 3.33Å; L267-C269 PolarHBondContact O-N 3.44Å; L267-K270 WeakPolarHBondContact O-CB 3.14Å; L267-K270 PolarHBondContact O-N 2.9Å; L267-L271 PolarHBondContact O-N 3.43Å
268L52.7Low63.2Low29 Ų2992 Ų9215%0.15247%0.473CS..Hα-helixtrans-62.3-38.8177-71.5162.7000112L260 L264 K270 L271 L279L260-L268 HydrophobicContact CB-CD1 3.87Å; L264-L268 HydrophobicContact CB-CD1 3.8Å; L264-L268 HydrophobicContact CB-CG 3.92Å; L264-L268 PolarHBondContact O-N 3.32Å; L268-K270 PolarHBondContact O-N 2.95Å; L268-K270 VanDerWaalsContact O-N 3.17Å; L268-L271 HydrophobicContact CD2-CD1 3.72Å; L268-L271 WeakPolarHBondContact O-CB 3.26Å; L268-L271 PolarHBondContact O-N 2.92Å; L268-L271 VanDerWaalsContact O-N 3.1Å; L268-L279 HydrophobicContact CD2-CD2 4.36Å
269C55.4Low64Low114 Ų11486.1 Ų86.177%0.7745%0.446SS*.THydrogen-bonded Turntrans-65.2-15.1175.7-70.70000113.6S265 L267S265-C269 WeakPolarHBondContact O-CB 3.38Å; S265-C269 PolarHBondContact O-SG 3.08Å; L267-C269 VanDerWaalsContact C-N 3.33Å; L267-C269 PolarHBondContact O-N 3.44Å
270K59Low64.9Low165 Ų16587.1 Ų87.172%0.71745%0.45SS*.THydrogen-bonded Turntrans-94.7-8.7175.8-64.6179.3-178.1-1790113.2L267 L268L267-K270 WeakPolarHBondContact O-CB 3.14Å; L267-K270 PolarHBondContact O-N 2.9Å; L268-K270 PolarHBondContact O-N 2.95Å; L268-K270 VanDerWaalsContact O-N 3.17Å
271L61.2Low66.2Low64 Ų6492.5 Ų92.534%0.33548%0.478SS..  trans-75134.1-176.2-68171.4000110.9L267 L268 E275 L279L267-L271 PolarHBondContact O-N 3.43Å; L268-L271 HydrophobicContact CD2-CD1 3.72Å; L268-L271 WeakPolarHBondContact O-CB 3.26Å; L268-L271 PolarHBondContact O-N 2.92Å; L268-L271 VanDerWaalsContact O-N 3.1Å; L271-E275 VanDerWaalsContact CA-OE2 3.26Å; L271-E275 WeakPolarHBondContact CA-OE2 3.32Å; L271-E275 HydrophobicContact CB-CB 4.3Å; L271-E275 HydrophobicContact CD2-CB 3.99Å; L271-E275 VanDerWaalsContact CD2-OE2 3.31Å; L271-E275 WeakPolarHBondContact CD2-OE2 3.48Å; L271-L279 HydrophobicContact CD1-CD2 4.47Å
272N70.8Confident67.8Low101 Ų10189.1 Ų89.154%0.5446%0.463SS..  trans-66.9155.6170.9-72.5-49.3000110.9K274 E275 H276N272-K274 PolarHBondContact O-N 3.39Å; N272-E275 HydrophobicContact CB-CG 4.26Å; N272-E275 PolarHBondContact N-OE2 3.39Å; N272-E275 PolarHBondContact ND2-OE1 3.14Å; N272-E275 PolarHBondContact O-N 3.17Å; N272-H276 PolarHBondContact O-N 3.42Å
273S73.6Confident69.3Low96 Ų9685.8 Ų85.867%0.67144%0.441SS*.Hα-helixtrans-55.7-27.6175.8610000113.8R277S273-R277 WeakPolarHBondContact O-CG 3.28Å; S273-R277 PolarHBondContact O-N 3.09Å
274K78.1Confident71.1Confident170 Ų17088.4 Ų88.474%0.73945%0.451SS*.Hα-helixtrans-70.9-46.5173.4-67.7-173.7178.8-179.10112.4N272 H276 R277 E278N272-K274 PolarHBondContact O-N 3.39Å; K274-H276 VanDerWaalsContact C-N 3.3Å; K274-H276 PolarHBondContact O-N 3.43Å; K274-R277 PolarHBondContact O-N 3.03Å; K274-E278 PolarHBondContact O-N 3.47Å
275E77.2Confident72.9Confident76 Ų7691.2 Ų91.236%0.35547%0.473SS..Hα-helixtrans-65.2-36.5-179.6-65.8160.1-167.900110.9L271 N272 R277 E278 L279L271-E275 VanDerWaalsContact CA-OE2 3.26Å; L271-E275 WeakPolarHBondContact CA-OE2 3.32Å; L271-E275 HydrophobicContact CB-CB 4.3Å; L271-E275 HydrophobicContact CD2-CB 3.99Å; L271-E275 VanDerWaalsContact CD2-OE2 3.31Å; L271-E275 WeakPolarHBondContact CD2-OE2 3.48Å; N272-E275 HydrophobicContact CB-CG 4.26Å; N272-E275 PolarHBondContact N-OE2 3.39Å; N272-E275 PolarHBondContact ND2-OE1 3.14Å; N272-E275 PolarHBondContact O-N 3.17Å; E275-R277 PolarHBondContact O-N 2.98Å; E275-E278 PolarHBondContact O-N 3.34Å; E275-L279 WeakPolarHBondContact O-CB 3.39Å; E275-L279 PolarHBondContact O-N 2.9Å
276H76.6Confident74.7Confident70 Ų7088.7 Ų88.732%0.32445%0.454SS..Hα-helixtrans-60.6-43.9173.4-164.1-81.5000112N272 K274 L279 E280N272-H276 PolarHBondContact O-N 3.42Å; K274-H276 VanDerWaalsContact C-N 3.3Å; K274-H276 PolarHBondContact O-N 3.43Å; H276-L279 PolarHBondContact O-N 3.36Å; H276-E280 IonicContact CE1-OE1 2.88Å; H276-E280 PolarHBondContact CE1-OE1 3.14Å; H276-E280 IonicContact ND1-OE1 2.93Å; H276-E280 PolarHBondContact ND1-OE1 3.27Å; H276-E280 WeakPolarHBondContact O-CG 3.45Å; H276-E280 PolarHBondContact O-N 3.08Å
277R80.5Confident76.5Confident180 Ų18086.3 Ų86.368%0.67944%0.437SS*.Hα-helixtrans-66.1-40.3177.6-73177.6179.2178.30.9112.4S273 K274 E275 L279 E280 L281S273-R277 WeakPolarHBondContact O-CG 3.28Å; S273-R277 PolarHBondContact O-N 3.09Å; K274-R277 PolarHBondContact O-N 3.03Å; E275-R277 PolarHBondContact O-N 2.98Å; R277-L279 VanDerWaalsContact C-N 3.34Å; R277-E280 PolarHBondContact O-N 2.88Å; R277-L281 WeakPolarHBondContact O-CG 3.31Å; R277-L281 PolarHBondContact O-N 3.19Å
278E83.7Confident78.5Confident132 Ų13286.2 Ų86.262%0.61743%0.433SS*.Hα-helixtrans-65-39.9176.5-174.3174.6-177.900111.9K274 E275 L281 S282K274-E278 PolarHBondContact O-N 3.47Å; E275-E278 PolarHBondContact O-N 3.34Å; E278-L281 PolarHBondContact O-N 2.85Å; E278-S282 WeakPolarHBondContact O-CB 3.44Å; E278-S282 PolarHBondContact O-N 3.4Å; E278-S282 PolarHBondContact O-OG 3.2Å
279L81.7Confident80.4Confident26 Ų2686.8 Ų86.814%0.13644%0.435CS..Hα-helixtrans-63.1-46174.4-178.764.8000111.6L3 L260 L268 L271 E275 H276 R277 L281 S282 I283L3-L279 HydrophobicContact CD2-CD1 3.73Å; L3-L279 HydrophobicContact CD2-CD2 3.77Å; L3-L279 HydrophobicContact CD2-CG 4.42Å; L260-L279 HydrophobicContact CD1-CD2 4.09Å; L268-L279 HydrophobicContact CD2-CD2 4.36Å; L271-L279 HydrophobicContact CD1-CD2 4.47Å; E275-L279 WeakPolarHBondContact O-CB 3.39Å; E275-L279 PolarHBondContact O-N 2.9Å; H276-L279 PolarHBondContact O-N 3.36Å; R277-L279 VanDerWaalsContact C-N 3.34Å; L279-L281 VanDerWaalsContact C-N 3.31Å; L279-L281 PolarHBondContact O-N 2.92Å; L279-S282 WeakPolarHBondContact O-CB 3.42Å; L279-S282 PolarHBondContact O-N 3.38Å; L279-I283 HydrophobicContact CD1-CD1 4.27Å; L279-I283 HydrophobicContact CD1-CG1 4.46Å; L279-I283 HydrophobicContact CG-CD1 3.93Å; L279-I283 VanDerWaalsContact O-CG1 3.29Å; L279-I283 WeakPolarHBondContact O-CG1 3.43Å; L279-I283 PolarHBondContact O-N 3.26Å
280E84.1Confident82.2Confident61 Ų6181.4 Ų81.429%0.28540%0.399SS..Hα-helixtrans-58.2-41.9175.6-76.1-179.8-165.300112.6I257 H276 R277 I283 K284I257-E280 HydrophobicContact CD1-CG 3.76Å; H276-E280 IonicContact CE1-OE1 2.88Å; H276-E280 PolarHBondContact CE1-OE1 3.14Å; H276-E280 IonicContact ND1-OE1 2.93Å; H276-E280 PolarHBondContact ND1-OE1 3.27Å; H276-E280 WeakPolarHBondContact O-CG 3.45Å; H276-E280 PolarHBondContact O-N 3.08Å; R277-E280 PolarHBondContact O-N 2.88Å; E280-I283 PolarHBondContact O-N 3.14Å; E280-K284 WeakPolarHBondContact O-CG 3.42Å; E280-K284 PolarHBondContact O-N 3.04Å
281L87Confident83.8Confident118 Ų11877.9 Ų77.962%0.61839%0.385SS*.Hα-helixtrans-65.3-40.9176.3-71173000111.6R277 E278 L279 K284 S285R277-L281 WeakPolarHBondContact O-CG 3.31Å; R277-L281 PolarHBondContact O-N 3.19Å; E278-L281 PolarHBondContact O-N 2.85Å; L279-L281 VanDerWaalsContact C-N 3.31Å; L279-L281 PolarHBondContact O-N 2.92Å; L281-K284 PolarHBondContact O-N 2.88Å; L281-S285 WeakPolarHBondContact O-CB 3.4Å; L281-S285 PolarHBondContact O-N 3.19Å
282S85.9Confident85.3Confident38 Ų3880.9 Ų80.927%0.26640%0.395SS..Hα-helixtrans-63.3-42.3176.7-59.30000111.8E278 L279 S285 W286E278-S282 WeakPolarHBondContact O-CB 3.44Å; E278-S282 PolarHBondContact O-N 3.4Å; E278-S282 PolarHBondContact O-OG 3.2Å; L279-S282 WeakPolarHBondContact O-CB 3.42Å; L279-S282 PolarHBondContact O-N 3.38Å; S282-S285 PolarHBondContact O-N 3.42Å; S282-W286 WeakPolarHBondContact O-CB 3.3Å; S282-W286 PolarHBondContact O-N 3.07Å
283I87.3Confident86.3Confident8 Ų876.5 Ų76.54%0.04137%0.372CS..Hα-helixtrans-63.8-44.1176.3-68.7165.9000110.9I4 V255 I257 L260 L279 E280 S285 W286 N287I4-I283 HydrophobicContact CD1-CG1 4.35Å; I4-I283 HydrophobicContact CG1-CG1 4.45Å; V255-I283 WeakPolarHBondContact O-CG2 3.42Å; I257-I283 HydrophobicContact CG1-CD1 3.98Å; L260-I283 HydrophobicContact CD1-CD1 3.97Å; L279-I283 HydrophobicContact CD1-CD1 4.27Å; L279-I283 HydrophobicContact CD1-CG1 4.46Å; L279-I283 HydrophobicContact CG-CD1 3.93Å; L279-I283 VanDerWaalsContact O-CG1 3.29Å; L279-I283 WeakPolarHBondContact O-CG1 3.43Å; L279-I283 PolarHBondContact O-N 3.26Å; E280-I283 PolarHBondContact O-N 3.14Å; I283-S285 PolarHBondContact O-N 2.97Å; I283-W286 PolarHBondContact O-N 3.39Å; I283-N287 WeakPolarHBondContact O-CB 3.36Å; I283-N287 PolarHBondContact O-N 2.7Å
284K88.9Confident87.2Confident137 Ų13772.8 Ų72.860%0.59634%0.344SS*.Hα-helixtrans-61.8-43.6176.1-74.7174.5-178.5174.10111.8E280 L281 W286 N287 H288E280-K284 WeakPolarHBondContact O-CG 3.42Å; E280-K284 PolarHBondContact O-N 3.04Å; L281-K284 PolarHBondContact O-N 2.88Å; K284-W286 VanDerWaalsContact C-N 3.35Å; K284-N287 PolarHBondContact O-N 3.11Å; K284-H288 WeakPolarHBondContact O-CB 3.28Å; K284-H288 PolarHBondContact O-N 3.05Å
285S90.3Very high87.8Confident84 Ų8470.6 Ų70.659%0.58734%0.34SS*.Hα-helixtrans-60-45.1175.9-173.20000111.5L281 S282 I283 H288 H289L281-S285 WeakPolarHBondContact O-CB 3.4Å; L281-S285 PolarHBondContact O-N 3.19Å; S282-S285 PolarHBondContact O-N 3.42Å; I283-S285 PolarHBondContact O-N 2.97Å; S285-H288 PolarHBondContact O-N 3.36Å; S285-H289 PolarHBondContact O-N 3.28Å
286W90.9Very high88.6Confident7 Ų769.6 Ų69.63%0.02734%0.337CS..Hα-helixtrans-61.9-50.4176.1177.2-96.2000112.5M1 I4 L8 L253 S282 I283 K284 H288 H289 I290 L327 D332 I334M1-W286 HydrophobicContact CE-CE3 4.01Å; M1-W286 HydrophobicContact CE-CZ3 4.35Å; I4-W286 HydrophobicContact CD1-CB 4.3Å; I4-W286 HydrophobicContact CG2-CD2 4.05Å; I4-W286 HydrophobicContact CG2-CG 4.07Å; L8-W286 HydrophobicContact CD1-CH2 4.26Å; L8-W286 HydrophobicContact CD1-CZ2 3.46Å; L8-W286 VanDerWaalsContact CD1-CZ2 3.46Å; L253-W286 PolarHBondContact O-NE1 3.11Å; S282-W286 WeakPolarHBondContact O-CB 3.3Å; S282-W286 PolarHBondContact O-N 3.07Å; I283-W286 PolarHBondContact O-N 3.39Å; K284-W286 VanDerWaalsContact C-N 3.35Å; W286-H288 PolarHBondContact O-N 2.92Å; W286-H289 WeakPolarHBondContact O-CA 3.14Å; W286-H289 VanDerWaalsContact O-CB 3.31Å; W286-H289 WeakPolarHBondContact O-CB 3.3Å; W286-H289 PolarHBondContact O-N 3.28Å; W286-I290 HydrophobicContact CD2-CG1 4.49Å; W286-I290 HydrophobicContact CH2-CD1 4.48Å; W286-I290 HydrophobicContact CZ2-CD1 3.8Å; W286-I290 HydrophobicContact CZ2-CG1 4.31Å; W286-I290 WeakPolarHBondContact O-CG1 3.43Å; W286-I290 PolarHBondContact O-N 3.46Å; W286-L327 HydrophobicContact CH2-CD1 3.61Å; W286-L327 HydrophobicContact CH2-CD2 4.22Å; W286-L327 HydrophobicContact CZ2-CD1 4.25Å; W286-D332 WeakPolarHBondContact CZ3-O 3.42Å; W286-I334 HydrophobicContact CH2-CD1 3.85Å; W286-I334 HydrophobicContact CH2-CG1 3.88Å; W286-I334 HydrophobicContact CZ2-CD1 3.91Å; W286-I334 HydrophobicContact CZ2-CG1 4.45Å
287N91.7Very high89.3Confident34 Ų3473.7 Ų73.718%0.18236%0.356CS..Hα-helixtrans-62-35.1-179.6-71.9-17.7000111.5S254 V255 I283 K284 I290 E291S254-N287 WeakPolarHBondContact CA-OD1 3.46Å; V255-N287 PolarHBondContact N-OD1 2.89Å; V255-N287 PolarHBondContact O-ND2 3.12Å; I283-N287 WeakPolarHBondContact O-CB 3.36Å; I283-N287 PolarHBondContact O-N 2.7Å; K284-N287 PolarHBondContact O-N 3.11Å; N287-I290 PolarHBondContact O-N 2.87Å; N287-E291 WeakPolarHBondContact O-CG 3.28Å; N287-E291 PolarHBondContact O-N 3.18Å
288H92.8Very high89.9Confident100 Ų10068.6 Ų68.646%0.46334%0.342SS..Hα-helixtrans-66.1-38.4171.8-172.665.5000112.9K284 S285 W286 E291 K292K284-H288 WeakPolarHBondContact O-CB 3.28Å; K284-H288 PolarHBondContact O-N 3.05Å; S285-H288 PolarHBondContact O-N 3.36Å; W286-H288 PolarHBondContact O-N 2.92Å; H288-E291 PolarHBondContact O-N 3.35Å; H288-K292 VanDerWaalsContact NE2-CE 3.26Å; H288-K292 WeakPolarHBondContact NE2-CE 3.25Å; H288-K292 PolarHBondContact NE2-NZ 3.23Å; H288-K292 PolarHBondContact O-N 3.28Å; H288-K292 VanDerWaalsContact O-N 3.12Å
289H92.4Very high90.4Very high41 Ų4162.3 Ų62.319%0.1931%0.312CS..Hα-helixtrans-60.3-47.4171.9176.666.1000111.3S285 W286 E291 K292 L293 I334S285-H289 PolarHBondContact O-N 3.28Å; W286-H289 WeakPolarHBondContact O-CA 3.14Å; W286-H289 VanDerWaalsContact O-CB 3.31Å; W286-H289 WeakPolarHBondContact O-CB 3.3Å; W286-H289 PolarHBondContact O-N 3.28Å; H289-E291 VanDerWaalsContact C-N 3.31Å; H289-E291 PolarHBondContact O-N 2.99Å; H289-K292 PolarHBondContact O-N 2.9Å; H289-L293 WeakPolarHBondContact O-CB 3.4Å; H289-L293 PolarHBondContact O-N 3.12Å; H289-I334 PolarHBondContact NE2-N 3.5Å; H289-I334 PolarHBondContact NE2-O 2.81Å; H289-I334 VanDerWaalsContact NE2-O 3.13Å
290I92.7Very high90.9Very high1 Ų162.3 Ų62.31%0.00531%0.312CS..Hα-helixtrans-61.9-39.1177.1-61.5-53.5000111.5K250 L253 W286 N287 K292 L293 M294 I334K250-I290 HydrophobicContact CG-CG2 4.21Å; L253-I290 HydrophobicContact CB-CD1 4Å; L253-I290 HydrophobicContact CB-CG1 4.25Å; L253-I290 HydrophobicContact CB-CG2 3.99Å; L253-I290 HydrophobicContact CD1-CD1 4.44Å; W286-I290 HydrophobicContact CD2-CG1 4.49Å; W286-I290 HydrophobicContact CH2-CD1 4.48Å; W286-I290 HydrophobicContact CZ2-CD1 3.8Å; W286-I290 HydrophobicContact CZ2-CG1 4.31Å; W286-I290 WeakPolarHBondContact O-CG1 3.43Å; W286-I290 PolarHBondContact O-N 3.46Å; N287-I290 PolarHBondContact O-N 2.87Å; I290-K292 VanDerWaalsContact C-N 3.35Å; I290-K292 PolarHBondContact O-N 3.46Å; I290-L293 HydrophobicContact CD1-CD2 4.15Å; I290-L293 WeakPolarHBondContact O-CB 3.41Å; I290-L293 PolarHBondContact O-N 2.95Å; I290-M294 HydrophobicContact CG2-CG 4.32Å; I290-M294 VanDerWaalsContact O-CG 3.26Å; I290-M294 WeakPolarHBondContact O-CG 3.16Å; I290-M294 PolarHBondContact O-N 3.4Å; I290-I334 HydrophobicContact CD1-CD1 3.91Å
291E92.8Very high91.3Very high91 Ų9162.5 Ų62.543%0.42532%0.315SS..Hα-helixtrans-60.7-42.8175.8-79.5-17616700113K250 N287 H288 H289K250-E291 VanDerWaalsContact CE-CG 3.44Å; K250-E291 WeakPolarHBondContact CE-OE1 3.19Å; K250-E291 VanDerWaalsContact NZ-CG 3.32Å; K250-E291 IonicContact NZ-OE1 3.76Å; K250-E291 PolarHBondContact NZ-OE1 2.83Å; N287-E291 WeakPolarHBondContact O-CG 3.28Å; N287-E291 PolarHBondContact O-N 3.18Å; H288-E291 PolarHBondContact O-N 3.35Å; H289-E291 VanDerWaalsContact C-N 3.31Å; H289-E291 PolarHBondContact O-N 2.99Å
292K93Very high91.6Very high128 Ų12857 Ų5756%0.55729%0.287SS*.Hα-helixtrans-66.6-42.7174.3-71.5179.3174.1179.70112H288 H289 I290 M294 L295H288-K292 VanDerWaalsContact NE2-CE 3.26Å; H288-K292 WeakPolarHBondContact NE2-CE 3.25Å; H288-K292 PolarHBondContact NE2-NZ 3.23Å; H288-K292 PolarHBondContact O-N 3.28Å; H288-K292 VanDerWaalsContact O-N 3.12Å; H289-K292 PolarHBondContact O-N 2.9Å; I290-K292 VanDerWaalsContact C-N 3.35Å; I290-K292 PolarHBondContact O-N 3.46Å; K292-M294 VanDerWaalsContact C-N 3.27Å; K292-M294 PolarHBondContact O-N 3.37Å; K292-L295 WeakPolarHBondContact O-CB 3.4Å; K292-L295 PolarHBondContact O-N 3.5Å
293L92.4Very high91.9Very high9 Ų955.2 Ų55.25%0.04727%0.274CS..Hα-helixtrans-59.6-38.1179.4-174.273.7000112.1H289 I290 L295 D296 V299 I334 P336 F339H289-L293 WeakPolarHBondContact O-CB 3.4Å; H289-L293 PolarHBondContact O-N 3.12Å; I290-L293 HydrophobicContact CD1-CD2 4.15Å; I290-L293 WeakPolarHBondContact O-CB 3.41Å; I290-L293 PolarHBondContact O-N 2.95Å; L293-L295 PolarHBondContact O-N 2.96Å; L293-D296 VanDerWaalsContact O-CB 3.27Å; L293-D296 WeakPolarHBondContact O-CB 3.49Å; L293-D296 PolarHBondContact O-N 3.1Å; L293-V299 HydrophobicContact CD1-CG2 3.98Å; L293-V299 HydrophobicContact CG-CG2 4.17Å; L293-I334 HydrophobicContact CD1-CG2 4.43Å; L293-I334 HydrophobicContact CD2-CB 3.84Å; L293-I334 HydrophobicContact CD2-CD1 4.44Å; L293-I334 HydrophobicContact CD2-CG2 3.69Å; L293-P336 HydrophobicContact CD1-CG 4.23Å; L293-F339 HydrophobicContact CD2-CE2 4.01Å
294M91.4Very high92.1Very high17 Ų1761.4 Ų61.48%0.08430%0.297CS..THydrogen-bonded Turntrans-72.7-9.2178.5-68.4-62.4-54.200114C246 C249 K250 I290 K292 L303C246-M294 HydrophobicContact CB-CE 3.77Å; C246-M294 WeakPolarHBondContact O-CE 3.42Å; C249-M294 HydrophobicContact CB-CE 4.19Å; C249-M294 HydrophobicContact CB-SD 4.46Å; K250-M294 HydrophobicContact CB-CE 4.4Å; K250-M294 HydrophobicContact CB-CG 4.01Å; K250-M294 HydrophobicContact CB-SD 4.39Å; K250-M294 HydrophobicContact CG-CG 4.24Å; I290-M294 HydrophobicContact CG2-CG 4.32Å; I290-M294 VanDerWaalsContact O-CG 3.26Å; I290-M294 WeakPolarHBondContact O-CG 3.16Å; I290-M294 PolarHBondContact O-N 3.4Å; K292-M294 VanDerWaalsContact C-N 3.27Å; K292-M294 PolarHBondContact O-N 3.37Å; M294-L303 HydrophobicContact CE-CD1 3.74Å; M294-L303 HydrophobicContact SD-CD1 4.35Å
295L91.6Very high92.2Very high125 Ų12559.4 Ų59.465%0.65429%0.29SS*.THydrogen-bonded Turntrans-93.3-12.4172.7-62.9173.3000112.6K292 L293K292-L295 WeakPolarHBondContact O-CB 3.4Å; K292-L295 PolarHBondContact O-N 3.5Å; L293-L295 PolarHBondContact O-N 2.96Å
296D92.8Very high92.2Very high54 Ų5455.8 Ų55.829%0.28926%0.264SS..  trans-68133.2-179.2-168.7-72.4000111.5L293 I298 V299 I300 P336L293-D296 VanDerWaalsContact O-CB 3.27Å; L293-D296 WeakPolarHBondContact O-CB 3.49Å; L293-D296 PolarHBondContact O-N 3.1Å; D296-I298 VanDerWaalsContact C-N 3.33Å; D296-I298 PolarHBondContact O-N 3.26Å; D296-I298 VanDerWaalsContact OD1-CB 3.27Å; D296-I298 WeakPolarHBondContact OD1-CB 3.16Å; D296-I298 PolarHBondContact OD1-N 2.89Å; D296-V299 HydrophobicContact CB-CB 4.28Å; D296-V299 HydrophobicContact CB-CG2 3.99Å; D296-V299 PolarHBondContact O-N 2.82Å; D296-I300 WeakPolarHBondContact O-CD1 3.48Å; D296-I300 VanDerWaalsContact O-CG1 3.25Å; D296-I300 WeakPolarHBondContact O-CG1 3.47Å; D296-I300 PolarHBondContact O-N 3.49Å; D296-P336 HydrophobicContact CB-CG 4.4Å; D296-P336 WeakPolarHBondContact OD2-CG 3.42Å
297E91.8Very high92.2Very high157 Ų15756.1 Ų56.173%0.73427%0.266SS*.Hα-helixtrans-62.6-38.9-177.2-65.5-174.7167.500112.2V299 I300 D301E297-V299 VanDerWaalsContact C-N 3.34Å; E297-V299 PolarHBondContact O-N 2.76Å; E297-I300 PolarHBondContact O-N 3.11Å; E297-D301 WeakPolarHBondContact O-CB 3.37Å; E297-D301 PolarHBondContact O-N 3.39Å
298I92.7Very high91.9Very high73 Ų7357.7 Ų57.737%0.37428%0.279SS..Hα-helixtrans-65.4-42.2-178.7-61.6173000110.3D296 D301 S302 P336 I340D296-I298 VanDerWaalsContact C-N 3.33Å; D296-I298 PolarHBondContact O-N 3.26Å; D296-I298 VanDerWaalsContact OD1-CB 3.27Å; D296-I298 WeakPolarHBondContact OD1-CB 3.16Å; D296-I298 PolarHBondContact OD1-N 2.89Å; I298-D301 PolarHBondContact O-N 3.18Å; I298-S302 WeakPolarHBondContact O-CB 3.37Å; I298-S302 PolarHBondContact O-N 2.86Å; I298-S302 PolarHBondContact O-OG 3.39Å; I298-P336 HydrophobicContact CB-CB 3.98Å; I298-P336 HydrophobicContact CD1-CB 4.32Å; I298-P336 HydrophobicContact CG2-CB 4.08Å; I298-I340 HydrophobicContact CG2-CD1 3.5Å; I298-I340 VanDerWaalsContact CG2-CD1 3.5Å; I298-I340 HydrophobicContact CG2-CG1 3.77Å
299V93.9Very high91.7Very high0 Ų056.9 Ų56.90%028%0.278CS..Hα-helixtrans-66.2-45.2178.1178.30000110.1L293 D296 E297 D301 S302 L303 P336 F339L293-V299 HydrophobicContact CD1-CG2 3.98Å; L293-V299 HydrophobicContact CG-CG2 4.17Å; D296-V299 HydrophobicContact CB-CB 4.28Å; D296-V299 HydrophobicContact CB-CG2 3.99Å; D296-V299 PolarHBondContact O-N 2.82Å; E297-V299 VanDerWaalsContact C-N 3.34Å; E297-V299 PolarHBondContact O-N 2.76Å; V299-D301 VanDerWaalsContact C-N 3.33Å; V299-D301 PolarHBondContact O-N 3.17Å; V299-S302 PolarHBondContact O-N 3.29Å; V299-L303 HydrophobicContact CG1-CD1 4.07Å; V299-L303 HydrophobicContact CG1-CG 4.42Å; V299-L303 WeakPolarHBondContact O-CB 3.39Å; V299-L303 VanDerWaalsContact O-CG 3.31Å; V299-L303 WeakPolarHBondContact O-CG 3.41Å; V299-L303 PolarHBondContact O-N 2.92Å; V299-P336 HydrophobicContact CG2-CB 3.87Å; V299-P336 HydrophobicContact CG2-CG 4.3Å; V299-F339 HydrophobicContact CG1-CD1 4.13Å; V299-F339 HydrophobicContact CG1-CD2 4.18Å; V299-F339 HydrophobicContact CG1-CE1 3.99Å; V299-F339 HydrophobicContact CG1-CE2 4.04Å; V299-F339 HydrophobicContact CG1-CG 4.22Å; V299-F339 HydrophobicContact CG1-CZ 3.93Å; V299-F339 HydrophobicContact CG2-CD2 3.97Å; V299-F339 HydrophobicContact CG2-CE2 4.27Å; V299-F339 HydrophobicContact CG2-CG 4.41Å
300I92.9Very high91.5Very high25 Ų2556.4 Ų56.413%0.12828%0.279CS..Hα-helixtrans-60.1-44.7178.1-68.9162.6000110.7R238 F242 D296 E297 L303 R304R238-I300 VanDerWaalsContact NH2-CD1 3.3Å; F242-I300 HydrophobicContact CE1-CG2 4.12Å; F242-I300 HydrophobicContact CZ-CG2 4.21Å; D296-I300 WeakPolarHBondContact O-CD1 3.48Å; D296-I300 VanDerWaalsContact O-CG1 3.25Å; D296-I300 WeakPolarHBondContact O-CG1 3.47Å; D296-I300 PolarHBondContact O-N 3.49Å; E297-I300 PolarHBondContact O-N 3.11Å; I300-L303 PolarHBondContact O-N 3.45Å; I300-R304 VanDerWaalsContact O-CB 3.31Å; I300-R304 WeakPolarHBondContact O-CB 3.46Å; I300-R304 PolarHBondContact O-N 3.06Å
301D91.8Very high91.2Very high65 Ų6557.4 Ų57.435%0.34829%0.285SS..Hα-helixtrans-65.8-41.3178.4-82.9-22.6000112.5E297 I298 V299 L303 R304 Q305E297-D301 WeakPolarHBondContact O-CB 3.37Å; E297-D301 PolarHBondContact O-N 3.39Å; I298-D301 PolarHBondContact O-N 3.18Å; V299-D301 VanDerWaalsContact C-N 3.33Å; V299-D301 PolarHBondContact O-N 3.17Å; D301-L303 VanDerWaalsContact C-N 3.34Å; D301-L303 PolarHBondContact O-N 3.47Å; D301-R304 WeakPolarHBondContact O-CB 3.38Å; D301-R304 PolarHBondContact O-N 2.85Å; D301-R304 IonicContact OD1-CZ 3.38Å; D301-R304 IonicContact OD1-NE 3.32Å; D301-R304 PolarHBondContact OD1-NE 2.94Å; D301-R304 IonicContact OD1-NH2 2.7Å; D301-R304 PolarHBondContact OD1-NH2 3.09Å; D301-Q305 WeakPolarHBondContact O-CG 3.31Å; D301-Q305 PolarHBondContact O-N 2.76Å
302S92.7Very high91Very high3 Ų354 Ų542%0.02127%0.272CS..Hα-helixtrans-61.7-42.7175-58.60000111.5I298 V299 Q305 A306I298-S302 WeakPolarHBondContact O-CB 3.37Å; I298-S302 PolarHBondContact O-N 2.86Å; I298-S302 PolarHBondContact O-OG 3.39Å; V299-S302 PolarHBondContact O-N 3.29Å; S302-Q305 PolarHBondContact O-N 3.29Å; S302-A306 WeakPolarHBondContact O-CB 3.45Å; S302-A306 PolarHBondContact O-N 2.98Å
303L92.9Very high90.8Very high0 Ų048.7 Ų48.70%025%0.249CC..Hα-helixtrans-66.8-37.5175.1-71.7175.9000112.1F242 F245 C249 M294 V299 I300 D301 A306 W307 L316 L319 F339F242-L303 HydrophobicContact CE2-CB 4.32Å; F242-L303 HydrophobicContact CZ-CB 4.4Å; F245-L303 HydrophobicContact CE1-CB 4.46Å; F245-L303 HydrophobicContact CE1-CD2 4.15Å; C249-L303 HydrophobicContact CB-CD1 4.25Å; C249-L303 HydrophobicContact CB-CD2 4.28Å; M294-L303 HydrophobicContact CE-CD1 3.74Å; M294-L303 HydrophobicContact SD-CD1 4.35Å; V299-L303 HydrophobicContact CG1-CD1 4.07Å; V299-L303 HydrophobicContact CG1-CG 4.42Å; V299-L303 WeakPolarHBondContact O-CB 3.39Å; V299-L303 VanDerWaalsContact O-CG 3.31Å; V299-L303 WeakPolarHBondContact O-CG 3.41Å; V299-L303 PolarHBondContact O-N 2.92Å; I300-L303 PolarHBondContact O-N 3.45Å; D301-L303 VanDerWaalsContact C-N 3.34Å; D301-L303 PolarHBondContact O-N 3.47Å; L303-A306 PolarHBondContact O-N 3.4Å; L303-W307 VanDerWaalsContact O-CB 3.26Å; L303-W307 WeakPolarHBondContact O-CB 3.49Å; L303-W307 PolarHBondContact O-N 2.88Å; L303-L316 HydrophobicContact CD2-CD1 3.89Å; L303-L319 HydrophobicContact CD2-CD2 4.12Å; L303-F339 HydrophobicContact CD2-CD1 4.46Å; L303-F339 HydrophobicContact CD2-CE1 4.15Å; L303-F339 HydrophobicContact CG-CE1 4.45Å
304R91.6Very high90.7Very high138 Ų13854.6 Ų54.652%0.52127%0.274SS..Hα-helixtrans-64-43.7176-176.3168.861.1140.5-3.1111.3F242 I300 D301 W307 S308F242-R304 HydrophobicContact CE2-CB 3.94Å; F242-R304 HydrophobicContact CZ-CB 3.78Å; I300-R304 VanDerWaalsContact O-CB 3.31Å; I300-R304 WeakPolarHBondContact O-CB 3.46Å; I300-R304 PolarHBondContact O-N 3.06Å; D301-R304 WeakPolarHBondContact O-CB 3.38Å; D301-R304 PolarHBondContact O-N 2.85Å; D301-R304 IonicContact OD1-CZ 3.38Å; D301-R304 IonicContact OD1-NE 3.32Å; D301-R304 PolarHBondContact OD1-NE 2.94Å; D301-R304 IonicContact OD1-NH2 2.7Å; D301-R304 PolarHBondContact OD1-NH2 3.09Å; R304-W307 PolarHBondContact O-N 3.03Å; R304-S308 WeakPolarHBondContact O-CB 3.37Å; R304-S308 PolarHBondContact O-N 2.91Å
305Q90.7Very high90.6Very high96 Ų9657.5 Ų57.545%0.44928%0.284SS..Hα-helixtrans-61.9-46.5173.2-70.5179.829.300111.4D301 S302 W307 S308 I309 L343D301-Q305 WeakPolarHBondContact O-CG 3.31Å; D301-Q305 PolarHBondContact O-N 2.76Å; S302-Q305 PolarHBondContact O-N 3.29Å; Q305-W307 VanDerWaalsContact C-N 3.34Å; Q305-W307 PolarHBondContact O-N 2.84Å; Q305-S308 PolarHBondContact O-N 3.41Å; Q305-S308 PolarHBondContact O-OG 3.3Å; Q305-I309 PolarHBondContact O-N 2.78Å; Q305-L343 HydrophobicContact CB-CD2 3.75Å; Q305-L343 VanDerWaalsContact OE1-CD2 3.31Å
306A91.2Very high90.6Very high7 Ų751.7 Ų51.76%0.05825%0.254CS..Hα-helixtrans-59.3-44.3176.700000112.3S302 L303 I309 S310 L319 L343S302-A306 WeakPolarHBondContact O-CB 3.45Å; S302-A306 PolarHBondContact O-N 2.98Å; L303-A306 PolarHBondContact O-N 3.4Å; A306-I309 PolarHBondContact O-N 3.41Å; A306-S310 PolarHBondContact O-N 3.38Å; A306-L319 HydrophobicContact CB-CD2 4.06Å; A306-L343 HydrophobicContact CB-CD1 4.07Å
307W89.5Confident90.6Very high14 Ų1449.6 Ų49.65%0.05324%0.242CC..Hα-helixtrans-63.4-42.2178-179.873.6000112G217 Y226 P241 F242 F245 L303 R304 Q305 I309 S310G217-W307 PolarHBondContact O-NE1 3.2Å; Y226-W307 HydrophobicContact CD1-CE3 4.47Å; Y226-W307 HydrophobicContact CD1-CH2 4.34Å; Y226-W307 AromaticContact CD1-CZ3 3.79Å; Y226-W307 HydrophobicContact CD1-CZ3 3.79Å; Y226-W307 HydrophobicContact CE1-CD2 4.29Å; Y226-W307 AromaticContact CE1-CE3 3.4Å; Y226-W307 HydrophobicContact CE1-CE3 3.4Å; Y226-W307 VanDerWaalsContact CE1-CE3 3.4Å; Y226-W307 AromaticContact CE1-CH2 3.7Å; Y226-W307 HydrophobicContact CE1-CH2 3.7Å; Y226-W307 AromaticContact CE1-CZ3 3.05Å; Y226-W307 HydrophobicContact CE1-CZ3 3.05Å; Y226-W307 HydrophobicContact CE2-CH2 4.25Å; Y226-W307 HydrophobicContact CE2-CZ3 4.4Å; Y226-W307 AromaticContact CZ-CE3 3.66Å; Y226-W307 AromaticContact CZ-CH2 3.61Å; Y226-W307 AromaticContact CZ-CZ3 3.41Å; Y226-W307 VanDerWaalsContact CZ-CZ3 3.41Å; Y226-W307 VanDerWaalsContact OH-CD2 3.3Å; Y226-W307 VanDerWaalsContact OH-CE3 3.27Å; Y226-W307 WeakPolarHBondContact OH-CZ3 3.46Å; Y226-W307 PolarHBondContact OH-O 2.76Å; P241-W307 HydrophobicContact CB-CZ2 4.27Å; F242-W307 HydrophobicContact CB-CD2 4.41Å; F242-W307 HydrophobicContact CB-CE3 4.42Å; F242-W307 HydrophobicContact CB-CZ3 4.46Å; F242-W307 HydrophobicContact CD2-CB 4.09Å; F242-W307 AromaticContact CD2-CD2 3.93Å; F242-W307 HydrophobicContact CD2-CD2 3.93Å; F242-W307 HydrophobicContact CD2-CE3 4.02Å; F242-W307 AromaticContact CD2-CG 3.95Å; F242-W307 HydrophobicContact CD2-CG 3.95Å; F242-W307 HydrophobicContact CE2-CB 4.27Å; F245-W307 HydrophobicContact CD1-CB 4.01Å; F245-W307 HydrophobicContact CD1-CG 4.37Å; F245-W307 AromaticContact CD2-CD1 3.89Å; F245-W307 HydrophobicContact CE1-CB 4Å; F245-W307 HydrophobicContact CG-CB 4.45Å; F245-W307 AromaticContact CG-CD1 3.74Å; F245-W307 HydrophobicContact CG-CG 4.37Å; F245-W307 HydrophobicContact CZ-CB 4.42Å; L303-W307 VanDerWaalsContact O-CB 3.26Å; L303-W307 WeakPolarHBondContact O-CB 3.49Å; L303-W307 PolarHBondContact O-N 2.88Å; R304-W307 PolarHBondContact O-N 3.03Å; Q305-W307 VanDerWaalsContact C-N 3.34Å; Q305-W307 PolarHBondContact O-N 2.84Å; W307-I309 PolarHBondContact O-N 2.79Å; W307-S310 CarbonylContact O-C 3.5Å; W307-S310 PolarHBondContact O-N 3.42Å
308S87.2Confident90.6Very high67 Ų6745.3 Ų45.347%0.46923%0.225SC..Hα-helixtrans-58.3-35.7177.676.70000113.3Y226 R304 Q305Y226-S308 WeakPolarHBondContact OH-CA 3.46Å; R304-S308 WeakPolarHBondContact O-CB 3.37Å; R304-S308 PolarHBondContact O-N 2.91Å; Q305-S308 PolarHBondContact O-N 3.41Å; Q305-S308 PolarHBondContact O-OG 3.3Å
309I87.7Confident90.6Very high84 Ų8441.9 Ų41.943%0.43121%0.207SC..Hα-helixtrans-80.6-42.8177.7-62.3166.9000110.5Q305 A306 W307 Q347Q305-I309 PolarHBondContact O-N 2.78Å; A306-I309 PolarHBondContact O-N 3.41Å; W307-I309 PolarHBondContact O-N 2.79Å; I309-Q347 HydrophobicContact CD1-CG 4.36Å; I309-Q347 VanDerWaalsContact CD1-NE2 3.29Å
310S87.2Confident90.6Very high30 Ų3041.9 Ų41.921%0.2121%0.207CC..  trans-157.3136-179.4-160.60000113.5A306 W307 S312A306-S310 PolarHBondContact O-N 3.38Å; W307-S310 CarbonylContact O-C 3.5Å; W307-S310 PolarHBondContact O-N 3.42Å; S310-S312 PolarHBondContact O-N 3.33Å; S310-S312 WeakPolarHBondContact OG-CB 3.21Å; S310-S312 PolarHBondContact OG-N 2.89Å
311V87.9Confident90.6Very high23 Ų2343.6 Ų43.614%0.13922%0.216CC..  trans-87.612171.5-161.50000112.2S215 G217 A218 I313S215-V311 WeakPolarHBondContact CB-O 3.26Å; S215-V311 PolarHBondContact OG-O 2.91Å; G217-V311 WeakPolarHBondContact O-CG1 3.5Å; A218-V311 HydrophobicContact CB-CG1 4.08Å; A218-V311 VanDerWaalsContact N-CG1 3.3Å; V311-I313 PolarHBondContact O-N 3.5Å
312S87.8Confident90.5Very high20 Ų2042.9 Ų42.914%0.1422%0.215CC..  trans-76125-177-170.40000111.3R51 G52 S310 K314 R315 L316R51-S312 PolarHBondContact O-OG 3.46Å; G52-S312 WeakPolarHBondContact CA-OG 3.48Å; G52-S312 PolarHBondContact O-OG 3.3Å; S310-S312 PolarHBondContact O-N 3.33Å; S310-S312 WeakPolarHBondContact OG-CB 3.21Å; S310-S312 PolarHBondContact OG-N 2.89Å; S312-K314 PolarHBondContact O-N 3.32Å; S312-R315 PolarHBondContact O-N 3.07Å; S312-L316 PolarHBondContact O-N 3.26Å; S312-L316 VanDerWaalsContact O-N 3.1Å
313I88.7Confident90.5Very high16 Ų1642.9 Ų42.98%0.08221%0.214CC..Hα-helixtrans-59.3-36.3174-55.2176.4000110.1F22 G52 P216 I248 V311 R315 L316 I317F22-I313 HydrophobicContact CE2-CD1 4.45Å; G52-I313 PolarHBondContact O-N 3.45Å; P216-I313 HydrophobicContact CG-CD1 4.43Å; I248-I313 HydrophobicContact CG2-CG2 4.41Å; V311-I313 PolarHBondContact O-N 3.5Å; I313-R315 VanDerWaalsContact C-N 3.3Å; I313-R315 PolarHBondContact O-N 2.81Å; I313-L316 WeakPolarHBondContact O-CB 3.35Å; I313-L316 PolarHBondContact O-N 3.39Å; I313-I317 HydrophobicContact CG2-CD1 4.14Å; I313-I317 HydrophobicContact CG2-CG1 4.44Å; I313-I317 WeakPolarHBondContact O-CG1 3.41Å; I313-I317 PolarHBondContact O-N 3.23Å
314K89.9Confident90.4Very high133 Ų13343 Ų4358%0.57822%0.215SC*.Hα-helixtrans-60.6-37.8174.7-173.6172.8-178.5178.80112.5G52 S312 I317 N318G52-K314 PolarHBondContact O-N 3.42Å; S312-K314 PolarHBondContact O-N 3.32Å; K314-I317 PolarHBondContact O-N 3.06Å; K314-N318 VanDerWaalsContact O-CG 3.27Å; K314-N318 PolarHBondContact O-N 2.88Å; K314-N318 PolarHBondContact O-OD1 3.02Å
315R90.7Very high90.2Very high78 Ų7839.1 Ų39.129%0.29421%0.213SC..Hα-helixtrans-70-38.8176.4-165.8-175.4-177.6101.51.4111S312 I313 N318 L319S312-R315 PolarHBondContact O-N 3.07Å; I313-R315 VanDerWaalsContact C-N 3.3Å; I313-R315 PolarHBondContact O-N 2.81Å; R315-N318 WeakPolarHBondContact O-CB 3.25Å; R315-N318 PolarHBondContact O-N 3.49Å; R315-L319 PolarHBondContact O-N 2.9Å
316L92.1Very high90.1Very high3 Ų337.1 Ų37.12%0.01621%0.21CC..Hα-helixtrans-60.2-45.5172177.960.4000111.4F245 I248 C249 L252 L303 S312 I313 N318 L319 L320F245-L316 HydrophobicContact CD2-CD2 4.37Å; F245-L316 HydrophobicContact CE1-CD1 4.06Å; F245-L316 HydrophobicContact CE1-CD2 4.47Å; F245-L316 HydrophobicContact CE2-CB 4.01Å; F245-L316 HydrophobicContact CE2-CD2 3.92Å; F245-L316 HydrophobicContact CE2-CG 4.38Å; F245-L316 HydrophobicContact CZ-CB 3.9Å; F245-L316 HydrophobicContact CZ-CD1 3.79Å; F245-L316 HydrophobicContact CZ-CD2 3.99Å; F245-L316 HydrophobicContact CZ-CG 4.1Å; I248-L316 HydrophobicContact CB-CD2 4.37Å; I248-L316 HydrophobicContact CG2-CD2 3.86Å; C249-L316 HydrophobicContact CB-CD1 4.16Å; C249-L316 HydrophobicContact CB-CD2 4.1Å; L252-L316 HydrophobicContact CD1-CD2 3.93Å; L252-L316 HydrophobicContact CD1-CG 4.12Å; L303-L316 HydrophobicContact CD2-CD1 3.89Å; S312-L316 PolarHBondContact O-N 3.26Å; S312-L316 VanDerWaalsContact O-N 3.1Å; I313-L316 WeakPolarHBondContact O-CB 3.35Å; I313-L316 PolarHBondContact O-N 3.39Å; L316-N318 VanDerWaalsContact C-N 3.31Å; L316-N318 PolarHBondContact O-N 3.49Å; L316-L319 HydrophobicContact CD1-CD2 4.34Å; L316-L319 WeakPolarHBondContact O-CA 3.4Å; L316-L319 VanDerWaalsContact O-CB 3.3Å; L316-L319 WeakPolarHBondContact O-CB 3.41Å; L316-L319 PolarHBondContact O-N 2.95Å; L316-L320 HydrophobicContact CD1-CG 4.46Å; L316-L320 HydrophobicContact CG-CD1 4.46Å; L316-L320 WeakPolarHBondContact O-CG 3.48Å; L316-L320 PolarHBondContact O-N 3.37Å
317I91.8Very high89.9Confident9 Ų936.9 Ų36.95%0.04621%0.207CC..Hα-helixtrans-59.3-43.7174.9-69168.7000110.7L12 L252 I313 K314 L319 L320 I321L12-I317 HydrophobicContact CB-CG2 4.47Å; L12-I317 HydrophobicContact CD2-CG2 4.4Å; L252-I317 HydrophobicContact CD1-CG1 3.96Å; L252-I317 HydrophobicContact CD2-CG1 4.42Å; I313-I317 HydrophobicContact CG2-CD1 4.14Å; I313-I317 HydrophobicContact CG2-CG1 4.44Å; I313-I317 WeakPolarHBondContact O-CG1 3.41Å; I313-I317 PolarHBondContact O-N 3.23Å; K314-I317 PolarHBondContact O-N 3.06Å; I317-L319 PolarHBondContact O-N 2.8Å; I317-L320 PolarHBondContact O-N 2.9Å; I317-I321 HydrophobicContact CG2-CD1 3.9Å; I317-I321 HydrophobicContact CG2-CG1 4.17Å; I317-I321 WeakPolarHBondContact O-CG1 3.4Å; I317-I321 PolarHBondContact O-N 3.5Å
318N91.5Very high89.5Confident67 Ų6737 Ų3736%0.35821%0.212SC..Hα-helixtrans-61.8-29.4176.1-71-5.5000113K314 R315 L316 P322 L346K314-N318 VanDerWaalsContact O-CG 3.27Å; K314-N318 PolarHBondContact O-N 2.88Å; K314-N318 PolarHBondContact O-OD1 3.02Å; R315-N318 WeakPolarHBondContact O-CB 3.25Å; R315-N318 PolarHBondContact O-N 3.49Å; L316-N318 VanDerWaalsContact C-N 3.31Å; L316-N318 PolarHBondContact O-N 3.49Å; N318-P322 WeakPolarHBondContact O-CD 3.44Å; N318-L346 HydrophobicContact CB-CD1 4.5Å; N318-L346 HydrophobicContact CB-CD2 4.09Å
319L93.6Very high89Confident2 Ų239.3 Ų39.31%0.0123%0.226CC..Hα-helixtrans-71.1-36.2173.2-179.872.8000111.1L303 A306 R315 L316 I317 I323 F339 S342 L343 L346L303-L319 HydrophobicContact CD2-CD2 4.12Å; A306-L319 HydrophobicContact CB-CD2 4.06Å; R315-L319 PolarHBondContact O-N 2.9Å; L316-L319 HydrophobicContact CD1-CD2 4.34Å; L316-L319 WeakPolarHBondContact O-CA 3.4Å; L316-L319 VanDerWaalsContact O-CB 3.3Å; L316-L319 WeakPolarHBondContact O-CB 3.41Å; L316-L319 PolarHBondContact O-N 2.95Å; I317-L319 PolarHBondContact O-N 2.8Å; L319-I323 WeakPolarHBondContact O-CD1 3.28Å; L319-F339 HydrophobicContact CD2-CD1 4.4Å; L319-S342 WeakPolarHBondContact O-CB 3.43Å; L319-S342 PolarHBondContact O-OG 3.23Å; L319-L343 HydrophobicContact CD1-CB 3.85Å; L319-L343 HydrophobicContact CD1-CD1 4.19Å; L319-L346 HydrophobicContact CB-CD1 3.7Å; L319-L346 HydrophobicContact CD1-CD1 3.88Å; L319-L346 HydrophobicContact CG-CD1 4.43Å
320L93.5Very high88.6Confident0 Ų043.3 Ų43.30%024%0.243CC..Hα-helixtrans-81.8-24.4-178.6-60.9-179.5000113.4L12 L252 L253 L316 I317 I323 V324 F339L12-L320 HydrophobicContact CD1-CB 4.08Å; L12-L320 HydrophobicContact CD2-CB 4.43Å; L12-L320 HydrophobicContact CD2-CD1 4.44Å; L252-L320 HydrophobicContact CB-CD1 3.73Å; L252-L320 HydrophobicContact CD1-CD1 3.89Å; L252-L320 HydrophobicContact CG-CD1 4.48Å; L253-L320 HydrophobicContact CD1-CD2 4.11Å; L253-L320 HydrophobicContact CD2-CD1 4.25Å; L253-L320 HydrophobicContact CD2-CD2 4.24Å; L253-L320 HydrophobicContact CG-CD1 4.15Å; L253-L320 HydrophobicContact CG-CD2 4.32Å; L316-L320 HydrophobicContact CD1-CG 4.46Å; L316-L320 HydrophobicContact CG-CD1 4.46Å; L316-L320 WeakPolarHBondContact O-CG 3.48Å; L316-L320 PolarHBondContact O-N 3.37Å; I317-L320 PolarHBondContact O-N 2.9Å; L320-I323 HydrophobicContact CD2-CD1 4.22Å; L320-I323 PolarHBondContact O-N 2.87Å; L320-V324 PolarHBondContact O-N 2.86Å; L320-F339 HydrophobicContact CD2-CE1 3.85Å; L320-F339 HydrophobicContact CD2-CZ 4.03Å
321I92.2Very high88.3Confident60 Ų6046.8 Ų46.831%0.30826%0.256SS..Hα-helixtrans-57.3-50.8-178-77.8166.7000112.5I317 I323 V324 A325I317-I321 HydrophobicContact CG2-CD1 3.9Å; I317-I321 HydrophobicContact CG2-CG1 4.17Å; I317-I321 WeakPolarHBondContact O-CG1 3.4Å; I317-I321 PolarHBondContact O-N 3.5Å; I321-I323 VanDerWaalsContact C-N 3.31Å; I321-I323 PolarHBondContact O-N 3.12Å; I321-V324 PolarHBondContact O-N 2.95Å; I321-A325 WeakPolarHBondContact O-CB 3.1Å; I321-A325 PolarHBondContact O-N 3.43Å
322P90.5Very high88Confident51 Ų5149.1 Ų49.133%0.33127%0.267SS..Hα-helixtrans-61.3-39.1177.4-24.935.1000112.9N318 A325 S326 S342N318-P322 WeakPolarHBondContact O-CD 3.44Å; P322-A325 PolarHBondContact O-N 3.46Å; P322-S326 PolarHBondContact O-N 3.02Å; P322-S342 WeakPolarHBondContact CG-OG 3.4Å
323I92.1Very high88Confident2 Ų255.7 Ų55.71%0.0129%0.289CS..Hα-helixtrans-64.4-44179.6-56.2175.1000110.8L319 L320 I321 A325 S326 I334 Q338 F339L319-I323 WeakPolarHBondContact O-CD1 3.28Å; L320-I323 HydrophobicContact CD2-CD1 4.22Å; L320-I323 PolarHBondContact O-N 2.87Å; I321-I323 VanDerWaalsContact C-N 3.31Å; I321-I323 PolarHBondContact O-N 3.12Å; I323-A325 VanDerWaalsContact C-N 3.32Å; I323-S326 PolarHBondContact O-OG 3.36Å; I323-I334 HydrophobicContact CG2-CB 4.41Å; I323-I334 HydrophobicContact CG2-CD1 4.16Å; I323-I334 HydrophobicContact CG2-CG1 4.13Å; I323-I334 HydrophobicContact CG2-CG2 3.48Å; I323-I334 VanDerWaalsContact CG2-CG2 3.48Å; I323-Q338 HydrophobicContact CG1-CB 4.34Å; I323-Q338 HydrophobicContact CG2-CB 4.29Å; I323-F339 HydrophobicContact CD1-CB 4.44Å; I323-F339 HydrophobicContact CD1-CD1 3.83Å; I323-F339 HydrophobicContact CD1-CD2 3.83Å; I323-F339 HydrophobicContact CD1-CE1 3.96Å; I323-F339 HydrophobicContact CD1-CE2 3.95Å; I323-F339 HydrophobicContact CD1-CG 3.77Å; I323-F339 HydrophobicContact CD1-CZ 4.02Å
324V90.6Very high88Confident2 Ų255 Ų551%0.01229%0.286CS..Hα-helixtrans-76-24.2177.1173.20000111.8L8 R9 L12 L253 L320 I321 L327L8-V324 HydrophobicContact CB-CG1 3.75Å; R9-V324 HydrophobicContact CG-CG1 3.85Å; L12-V324 HydrophobicContact CD1-CB 3.83Å; L12-V324 HydrophobicContact CD1-CG1 4.17Å; L12-V324 HydrophobicContact CD1-CG2 3.54Å; L253-V324 HydrophobicContact CD2-CG2 3.89Å; L320-V324 PolarHBondContact O-N 2.86Å; I321-V324 PolarHBondContact O-N 2.95Å; V324-L327 HydrophobicContact CG1-CD1 4.48Å; V324-L327 HydrophobicContact CG2-CD1 4.42Å
325A89Confident88.1Confident58 Ų5854.1 Ų54.148%0.47928%0.283SS..Hα-helixtrans-72.6-30.3175.300000112.8I321 P322 I323 L327I321-A325 WeakPolarHBondContact O-CB 3.1Å; I321-A325 PolarHBondContact O-N 3.43Å; P322-A325 PolarHBondContact O-N 3.46Å; I323-A325 VanDerWaalsContact C-N 3.32Å; A325-L327 VanDerWaalsContact C-N 3.31Å
326S87.1Confident88.2Confident54 Ų5451.8 Ų51.838%0.37828%0.278SS..Hα-helixtrans-75.2-18.2175.464.40000113.5P322 I323 G328 Q338P322-S326 PolarHBondContact O-N 3.02Å; I323-S326 PolarHBondContact O-OG 3.36Å; S326-G328 PolarHBondContact O-N 2.89Å; S326-Q338 PolarHBondContact OG-NE2 2.96Å; S326-Q338 VanDerWaalsContact OG-NE2 3.17Å
327L87.1Confident88.2Confident2 Ų255.1 Ų55.11%0.0130%0.298CS..  trans-65132.6174.6-64.7172000110.9L8 R9 W286 V324 A325 I334L8-L327 HydrophobicContact CD1-CD1 4.44Å; R9-L327 PolarHBondContact NH2-O 3.26Å; W286-L327 HydrophobicContact CH2-CD1 3.61Å; W286-L327 HydrophobicContact CH2-CD2 4.22Å; W286-L327 HydrophobicContact CZ2-CD1 4.25Å; V324-L327 HydrophobicContact CG1-CD1 4.48Å; V324-L327 HydrophobicContact CG2-CD1 4.42Å; A325-L327 VanDerWaalsContact C-N 3.31Å; L327-I334 HydrophobicContact CD1-CD1 4.34Å; L327-I334 HydrophobicContact CD1-CG1 4.14Å; L327-I334 HydrophobicContact CD2-CG1 3.9Å; L327-I334 HydrophobicContact CG-CG1 4.39Å
328G82.1Confident88.2Confident15 Ų1555.8 Ų55.816%0.15530%0.302CS..  trans-158.1-171.8-176.800000112.1S326 E330 H331S326-G328 PolarHBondContact O-N 2.89Å; G328-E330 PolarHBondContact O-N 3.25Å; G328-H331 PolarHBondContact N-O 2.86Å; G328-H331 VanDerWaalsContact N-O 3.1Å; G328-H331 CarbonylContact O-C 3.56Å; G328-H331 PolarHBondContact O-N 3.23Å
329P76.6Confident88.4Confident116 Ų11652.6 Ų52.675%0.75329%0.285SS*.SBendtrans-65.1-29.1179.726.4-34.2000112.7
330E77.8Confident88.3Confident168 Ų16856 Ų5679%0.78530%0.302SS*.SBendtrans-86.9-25.6179.1-61.5-178.9176.700113.2G328G328-E330 PolarHBondContact O-N 3.25Å
331H81.2Confident88.3Confident104 Ų10461.7 Ų61.748%0.48133%0.328SS..  trans-123.791.8-176.3-63.484.5000108.9G328G328-H331 PolarHBondContact N-O 2.86Å; G328-H331 VanDerWaalsContact N-O 3.1Å; G328-H331 CarbonylContact O-C 3.56Å; G328-H331 PolarHBondContact O-N 3.23Å
332D82.9Confident88.3Confident71 Ų7159 Ų5938%0.3832%0.315SS..  trans-96-0.7-173.476.5-29.9000113.5M1 W286M1-D332 HydrophobicContact CE-CB 3.78Å; M1-D332 VanDerWaalsContact CE-O 3.28Å; M1-D332 WeakPolarHBondContact CE-O 3.03Å; M1-D332 HydrophobicContact CG-CB 4.42Å; W286-D332 WeakPolarHBondContact CZ3-O 3.42Å
333R86.7Confident88.4Confident159 Ų15956.7 Ų56.760%0.630%0.3SS*.SBendtrans-130145.3-179.5-69.2-179.5-169.6-177.22.4111.4
334I89.8Confident88.3Confident2 Ų259.7 Ų59.71%0.0132%0.32CS..  trans-83.6126.8169.5-58.4173.4000108.5L253 W286 H289 I290 L293 I323 L327 F339L253-I334 HydrophobicContact CD1-CD1 4.33Å; L253-I334 HydrophobicContact CD2-CD1 4.05Å; W286-I334 HydrophobicContact CH2-CD1 3.85Å; W286-I334 HydrophobicContact CH2-CG1 3.88Å; W286-I334 HydrophobicContact CZ2-CD1 3.91Å; W286-I334 HydrophobicContact CZ2-CG1 4.45Å; H289-I334 PolarHBondContact NE2-N 3.5Å; H289-I334 PolarHBondContact NE2-O 2.81Å; H289-I334 VanDerWaalsContact NE2-O 3.13Å; I290-I334 HydrophobicContact CD1-CD1 3.91Å; L293-I334 HydrophobicContact CD1-CG2 4.43Å; L293-I334 HydrophobicContact CD2-CB 3.84Å; L293-I334 HydrophobicContact CD2-CD1 4.44Å; L293-I334 HydrophobicContact CD2-CG2 3.69Å; I323-I334 HydrophobicContact CG2-CB 4.41Å; I323-I334 HydrophobicContact CG2-CD1 4.16Å; I323-I334 HydrophobicContact CG2-CG1 4.13Å; I323-I334 HydrophobicContact CG2-CG2 3.48Å; I323-I334 VanDerWaalsContact CG2-CG2 3.48Å; L327-I334 HydrophobicContact CD1-CD1 4.34Å; L327-I334 HydrophobicContact CD1-CG1 4.14Å; L327-I334 HydrophobicContact CD2-CG1 3.9Å; L327-I334 HydrophobicContact CG-CG1 4.39Å; I334-F339 HydrophobicContact CG2-CD2 4.39Å; I334-F339 HydrophobicContact CG2-CE2 3.86Å
335E91.2Very high88.1Confident113 Ų11363.1 Ų63.153%0.52834%0.341SS..  trans-97.9146.4175.4-64.5-174.1167.400111V337 Q338E335-V337 PolarHBondContact O-N 2.85Å; E335-Q338 HydrophobicContact CB-CG 4.31Å; E335-Q338 WeakPolarHBondContact O-CB 3.45Å; E335-Q338 PolarHBondContact O-N 3.36Å; E335-Q338 VanDerWaalsContact O-N 3.1Å
336P92.6Very high88Confident30 Ų3063 Ų6320%0.19533%0.332CS..Hα-helixtrans-55.5-33.8177.2-27.235.2000114.1L293 D296 I298 V299 Q338 F339L293-P336 HydrophobicContact CD1-CG 4.23Å; D296-P336 HydrophobicContact CB-CG 4.4Å; D296-P336 WeakPolarHBondContact OD2-CG 3.42Å; I298-P336 HydrophobicContact CB-CB 3.98Å; I298-P336 HydrophobicContact CD1-CB 4.32Å; I298-P336 HydrophobicContact CG2-CB 4.08Å; V299-P336 HydrophobicContact CG2-CB 3.87Å; V299-P336 HydrophobicContact CG2-CG 4.3Å; P336-Q338 PolarHBondContact O-N 2.9Å; P336-F339 WeakPolarHBondContact O-CB 3.16Å; P336-F339 PolarHBondContact O-N 3.39Å; P336-F339 VanDerWaalsContact O-N 3.13Å
337V92.5Very high87.9Confident72 Ų7264.6 Ų64.644%0.43633%0.334SS..Hα-helixtrans-61-32.9179.9-177.70000111.9E335 F339 I340 E341E335-V337 PolarHBondContact O-N 2.85Å; V337-F339 PolarHBondContact O-N 3.15Å; V337-I340 WeakPolarHBondContact O-CB 3.47Å; V337-I340 PolarHBondContact O-N 3.32Å; V337-E341 HydrophobicContact CG1-CG 4.31Å; V337-E341 PolarHBondContact O-N 3.04Å
338Q92.6Very high87.6Confident24 Ų2469 Ų6911%0.11236%0.355CS..Hα-helixtrans-64.4-27.3179.5-62.9176.4-39.100112.5I323 S326 E335 P336 S342I323-Q338 HydrophobicContact CG1-CB 4.34Å; I323-Q338 HydrophobicContact CG2-CB 4.29Å; S326-Q338 PolarHBondContact OG-NE2 2.96Å; S326-Q338 VanDerWaalsContact OG-NE2 3.17Å; E335-Q338 HydrophobicContact CB-CG 4.31Å; E335-Q338 WeakPolarHBondContact O-CB 3.45Å; E335-Q338 PolarHBondContact O-N 3.36Å; E335-Q338 VanDerWaalsContact O-N 3.1Å; P336-Q338 PolarHBondContact O-N 2.9Å; Q338-S342 WeakPolarHBondContact O-CB 3.45Å; Q338-S342 PolarHBondContact O-N 3.46Å
339F94.1Very high87.5Confident0 Ų071.9 Ų71.90%037%0.366CS..Hα-helixtrans-67.6-41.7172.9-83.5-98.8000111.8L253 L293 V299 L303 L319 L320 I323 I334 P336 V337 L343L253-F339 HydrophobicContact CD1-CZ 4.07Å; L293-F339 HydrophobicContact CD2-CE2 4.01Å; V299-F339 HydrophobicContact CG1-CD1 4.13Å; V299-F339 HydrophobicContact CG1-CD2 4.18Å; V299-F339 HydrophobicContact CG1-CE1 3.99Å; V299-F339 HydrophobicContact CG1-CE2 4.04Å; V299-F339 HydrophobicContact CG1-CG 4.22Å; V299-F339 HydrophobicContact CG1-CZ 3.93Å; V299-F339 HydrophobicContact CG2-CD2 3.97Å; V299-F339 HydrophobicContact CG2-CE2 4.27Å; V299-F339 HydrophobicContact CG2-CG 4.41Å; L303-F339 HydrophobicContact CD2-CD1 4.46Å; L303-F339 HydrophobicContact CD2-CE1 4.15Å; L303-F339 HydrophobicContact CG-CE1 4.45Å; L319-F339 HydrophobicContact CD2-CD1 4.4Å; L320-F339 HydrophobicContact CD2-CE1 3.85Å; L320-F339 HydrophobicContact CD2-CZ 4.03Å; I323-F339 HydrophobicContact CD1-CB 4.44Å; I323-F339 HydrophobicContact CD1-CD1 3.83Å; I323-F339 HydrophobicContact CD1-CD2 3.83Å; I323-F339 HydrophobicContact CD1-CE1 3.96Å; I323-F339 HydrophobicContact CD1-CE2 3.95Å; I323-F339 HydrophobicContact CD1-CG 3.77Å; I323-F339 HydrophobicContact CD1-CZ 4.02Å; I334-F339 HydrophobicContact CG2-CD2 4.39Å; I334-F339 HydrophobicContact CG2-CE2 3.86Å; P336-F339 WeakPolarHBondContact O-CB 3.16Å; P336-F339 PolarHBondContact O-N 3.39Å; P336-F339 VanDerWaalsContact O-N 3.13Å; V337-F339 PolarHBondContact O-N 3.15Å; F339-L343 WeakPolarHBondContact O-CB 3.37Å; F339-L343 PolarHBondContact O-N 3.39Å
340I93Very high87.7Confident74 Ų7470.9 Ų70.938%0.37936%0.362SS..Hα-helixtrans-63.3-50175.8-59.3173.9000109.4I298 V337 S342 L343 C344I298-I340 HydrophobicContact CG2-CD1 3.5Å; I298-I340 VanDerWaalsContact CG2-CD1 3.5Å; I298-I340 HydrophobicContact CG2-CG1 3.77Å; V337-I340 WeakPolarHBondContact O-CB 3.47Å; V337-I340 PolarHBondContact O-N 3.32Å; I340-S342 VanDerWaalsContact C-N 3.35Å; I340-S342 PolarHBondContact O-N 3.45Å; I340-L343 PolarHBondContact O-N 3.5Å; I340-C344 WeakPolarHBondContact O-CB 3.34Å; I340-C344 PolarHBondContact O-N 3.39Å; I340-C344 PolarHBondContact O-SG 3.36Å
341E92.1Very high87.9Confident118 Ų11866.4 Ų66.455%0.55134%0.34SS*.Hα-helixtrans-59.9-44.2-178.9-69.4178.2173.300112.3V337 C344 T345V337-E341 HydrophobicContact CG1-CG 4.31Å; V337-E341 PolarHBondContact O-N 3.04Å; E341-C344 PolarHBondContact O-N 3.45Å; E341-T345 WeakPolarHBondContact O-CB 3.45Å; E341-T345 PolarHBondContact O-N 3.22Å; E341-T345 PolarHBondContact O-OG1 3.33Å
342S93.4Very high87.8Confident3 Ų363.2 Ų63.22%0.02133%0.326CS..Hα-helixtrans-65.2-41.1176.4-1720000111.7L319 P322 Q338 I340 T345 L346L319-S342 WeakPolarHBondContact O-CB 3.43Å; L319-S342 PolarHBondContact O-OG 3.23Å; P322-S342 WeakPolarHBondContact CG-OG 3.4Å; Q338-S342 WeakPolarHBondContact O-CB 3.45Å; Q338-S342 PolarHBondContact O-N 3.46Å; I340-S342 VanDerWaalsContact C-N 3.35Å; I340-S342 PolarHBondContact O-N 3.45Å; S342-T345 WeakPolarHBondContact O-CB 3.42Å; S342-T345 PolarHBondContact O-N 3.31Å; S342-L346 WeakPolarHBondContact O-CG 3.46Å; S342-L346 PolarHBondContact O-N 3.11Å
343L92Very high87.8Confident4 Ų463 Ų632%0.02133%0.327CS..Hα-helixtrans-63.4-46.5176.6-177.264.2000111.6Q305 A306 L319 F339 I340 T345 L346 Q347Q305-L343 HydrophobicContact CB-CD2 3.75Å; Q305-L343 VanDerWaalsContact OE1-CD2 3.31Å; A306-L343 HydrophobicContact CB-CD1 4.07Å; L319-L343 HydrophobicContact CD1-CB 3.85Å; L319-L343 HydrophobicContact CD1-CD1 4.19Å; F339-L343 WeakPolarHBondContact O-CB 3.37Å; F339-L343 PolarHBondContact O-N 3.39Å; I340-L343 PolarHBondContact O-N 3.5Å; L343-T345 VanDerWaalsContact C-N 3.28Å; L343-T345 PolarHBondContact O-N 3.22Å; L343-L346 PolarHBondContact O-N 3.32Å; L343-L346 VanDerWaalsContact O-N 3.17Å; L343-Q347 WeakPolarHBondContact O-CG 3.37Å; L343-Q347 PolarHBondContact O-N 3.14Å
344C89.7Confident87.8Confident65 Ų6557.3 Ų57.344%0.43932%0.315SS..Hα-helixtrans-56.7-44.3174-73.40000110.6I340 E341 L346 Q347 Q348I340-C344 WeakPolarHBondContact O-CB 3.34Å; I340-C344 PolarHBondContact O-N 3.39Å; I340-C344 PolarHBondContact O-SG 3.36Å; E341-C344 PolarHBondContact O-N 3.45Å; C344-L346 VanDerWaalsContact C-N 3.34Å; C344-L346 PolarHBondContact O-N 3.46Å; C344-Q347 CarbonylContact O-C 3.59Å; C344-Q347 PolarHBondContact O-N 3.15Å; C344-Q347 VanDerWaalsContact O-N 3.08Å; C344-Q348 WeakPolarHBondContact O-CG 3.41Å; C344-Q348 PolarHBondContact O-N 2.91Å
345T87.5Confident87.6Confident74 Ų7457.2 Ų57.245%0.45431%0.314SS..Hα-helixtrans-60.6-41.3177.3-57.30000112.1E341 S342 L343 Q347 Q348E341-T345 WeakPolarHBondContact O-CB 3.45Å; E341-T345 PolarHBondContact O-N 3.22Å; E341-T345 PolarHBondContact O-OG1 3.33Å; S342-T345 WeakPolarHBondContact O-CB 3.42Å; S342-T345 PolarHBondContact O-N 3.31Å; L343-T345 VanDerWaalsContact C-N 3.28Å; L343-T345 PolarHBondContact O-N 3.22Å; T345-Q347 VanDerWaalsContact C-N 3.26Å; T345-Q347 PolarHBondContact O-N 2.54Å; T345-Q348 PolarHBondContact O-N 3.36Å
346L86.8Confident87.3Confident55 Ų5555.9 Ų55.929%0.28831%0.307SS..Hα-helixtrans-71.4-18.7175.5-71.1-177000114.4N318 L319 S342 L343 C344N318-L346 HydrophobicContact CB-CD1 4.5Å; N318-L346 HydrophobicContact CB-CD2 4.09Å; L319-L346 HydrophobicContact CB-CD1 3.7Å; L319-L346 HydrophobicContact CD1-CD1 3.88Å; L319-L346 HydrophobicContact CG-CD1 4.43Å; S342-L346 WeakPolarHBondContact O-CG 3.46Å; S342-L346 PolarHBondContact O-N 3.11Å; L343-L346 PolarHBondContact O-N 3.32Å; L343-L346 VanDerWaalsContact O-N 3.17Å; C344-L346 VanDerWaalsContact C-N 3.34Å; C344-L346 PolarHBondContact O-N 3.46Å
347Q85.1Confident87Confident88 Ų8857.7 Ų57.741%0.41133%0.33SS..Hα-helixtrans-97.7-5.8178.2-71.2175.2-1300112.8I309 L343 C344 T345 D349I309-Q347 HydrophobicContact CD1-CG 4.36Å; I309-Q347 VanDerWaalsContact CD1-NE2 3.29Å; L343-Q347 WeakPolarHBondContact O-CG 3.37Å; L343-Q347 PolarHBondContact O-N 3.14Å; C344-Q347 CarbonylContact O-C 3.59Å; C344-Q347 PolarHBondContact O-N 3.15Å; C344-Q347 VanDerWaalsContact O-N 3.08Å; T345-Q347 VanDerWaalsContact C-N 3.26Å; T345-Q347 PolarHBondContact O-N 2.54Å; Q347-D349 PolarHBondContact O-N 2.76Å
348Q80.4Confident86.8Confident95 Ų9554.4 Ų54.444%0.44431%0.311SS..SBendtrans-56.6135.4178.8-76.3178.811.100111C344 T345 S350C344-Q348 WeakPolarHBondContact O-CG 3.41Å; C344-Q348 PolarHBondContact O-N 2.91Å; T345-Q348 PolarHBondContact O-N 3.36Å; Q348-S350 PolarHBondContact O-N 3.36Å
349D80.2Confident86.7Confident75 Ų7555.7 Ų55.740%0.40132%0.323SS..  trans-64.9126.3174.2-170.6-21000109.8Q347 K351 L352 T353Q347-D349 PolarHBondContact O-N 2.76Å; D349-K351 PolarHBondContact O-N 3.02Å; D349-K351 WeakPolarHBondContact OD1-CB 3.45Å; D349-K351 PolarHBondContact OD1-N 2.83Å; D349-L352 HydrophobicContact CB-CB 4.06Å; D349-L352 PolarHBondContact O-N 3.41Å; D349-L352 VanDerWaalsContact O-N 3.16Å; D349-T353 PolarHBondContact O-N 3Å; D349-T353 PolarHBondContact O-OG1 3.45Å
350S79.8Confident86.6Confident95 Ų9557.6 Ų57.666%0.66433%0.334SS*.Hα-helixtrans-57.9-33.8175.452.10000112.5Q348 A354Q348-S350 PolarHBondContact O-N 3.36Å; S350-A354 WeakPolarHBondContact O-CB 3.49Å; S350-A354 PolarHBondContact O-N 3.01Å
351K81.7Confident86.6Confident74 Ų7454.9 Ų54.932%0.32232%0.32SS..Hα-helixtrans-64.8-46.9175.8-66.9-174.7-176.6-176.50111D349 T353 A354 L355 Y459D349-K351 PolarHBondContact O-N 3.02Å; D349-K351 WeakPolarHBondContact OD1-CB 3.45Å; D349-K351 PolarHBondContact OD1-N 2.83Å; K351-T353 VanDerWaalsContact C-N 3.33Å; K351-T353 PolarHBondContact O-N 3.08Å; K351-A354 PolarHBondContact O-N 3.28Å; K351-L355 VanDerWaalsContact O-CG 3.32Å; K351-L355 WeakPolarHBondContact O-CG 3.46Å; K351-L355 PolarHBondContact O-N 3.2Å; K351-Y459 PolarHBondContact NZ-O 3.29Å
352L80.8Confident86.6Confident36 Ų3649.9 Ų49.919%0.18830%0.297CS..Hα-helixtrans-65.3-38.1179.9-173.1140.5000111.6D349 L355 K356 T464D349-L352 HydrophobicContact CB-CB 4.06Å; D349-L352 PolarHBondContact O-N 3.41Å; D349-L352 VanDerWaalsContact O-N 3.16Å; L352-L355 PolarHBondContact O-N 3.37Å; L352-K356 HydrophobicContact CD2-CD 3.98Å; L352-K356 VanDerWaalsContact CD2-CE 3.41Å; L352-K356 WeakPolarHBondContact O-CG 3.38Å; L352-K356 PolarHBondContact O-N 2.85Å; L352-T464 HydrophobicContact CB-CG2 4.47Å
353T83Confident86.6Confident66 Ų6649.8 Ų49.841%0.40530%0.296SS..Hα-helixtrans-66.1-40.3173.7-58.10000112.2D349 K351 K356 G357D349-T353 PolarHBondContact O-N 3Å; D349-T353 PolarHBondContact O-OG1 3.45Å; K351-T353 VanDerWaalsContact C-N 3.33Å; K351-T353 PolarHBondContact O-N 3.08Å; T353-K356 PolarHBondContact O-N 3.41Å; T353-G357 PolarHBondContact O-N 2.89Å
354A84.9Confident86.6Confident41 Ų4149.6 Ų49.634%0.33930%0.295SS..Hα-helixtrans-62.7-43.7174.300000111.7S350 K351 K356 G357 C358 L420S350-A354 WeakPolarHBondContact O-CB 3.49Å; S350-A354 PolarHBondContact O-N 3.01Å; K351-A354 PolarHBondContact O-N 3.28Å; A354-K356 VanDerWaalsContact C-N 3.34Å; A354-K356 PolarHBondContact O-N 2.98Å; A354-G357 PolarHBondContact O-N 3.28Å; A354-C358 PolarHBondContact O-N 2.99Å; A354-C358 PolarHBondContact O-SG 3.34Å; A354-L420 HydrophobicContact CB-CD1 4.46Å; A354-L420 HydrophobicContact CB-CD2 4.11Å
355L87Confident86.8Confident0 Ų046.5 Ų46.50%027%0.274CS..Hα-helixtrans-61.7-38.7176.8-71.2171.3000113K351 L352 G357 C358 I366 L420 V460 T464 C468K351-L355 VanDerWaalsContact O-CG 3.32Å; K351-L355 WeakPolarHBondContact O-CG 3.46Å; K351-L355 PolarHBondContact O-N 3.2Å; L352-L355 PolarHBondContact O-N 3.37Å; L355-G357 PolarHBondContact O-N 3.23Å; L355-C358 WeakPolarHBondContact O-CB 3.22Å; L355-C358 PolarHBondContact O-N 2.79Å; L355-C358 VanDerWaalsContact O-N 3.15Å; L355-I366 HydrophobicContact CD2-CD1 3.56Å; L355-I366 HydrophobicContact CD2-CG2 4.33Å; L355-L420 HydrophobicContact CD2-CD1 4.33Å; L355-V460 HydrophobicContact CD1-CG1 3.8Å; L355-V460 HydrophobicContact CD1-CG2 4.31Å; L355-V460 HydrophobicContact CD2-CG1 4.4Å; L355-V460 HydrophobicContact CD2-CG2 3.98Å; L355-V460 HydrophobicContact CG-CG2 4.49Å; L355-T464 HydrophobicContact CD1-CG2 4.13Å; L355-C468 HydrophobicContact CB-CB 4.3Å; L355-C468 WeakPolarHBondContact CB-SG 3.43Å; L355-C468 HydrophobicContact CD1-CB 4.23Å
356K84.2Confident87Confident85 Ų8543 Ų4337%0.3725%0.252SS..Hα-helixtrans-63.3-20.9174-76176.5175.6174.20113.5L352 T353 A354 Y472L352-K356 HydrophobicContact CD2-CD 3.98Å; L352-K356 VanDerWaalsContact CD2-CE 3.41Å; L352-K356 WeakPolarHBondContact O-CG 3.38Å; L352-K356 PolarHBondContact O-N 2.85Å; T353-K356 PolarHBondContact O-N 3.41Å; A354-K356 VanDerWaalsContact C-N 3.34Å; A354-K356 PolarHBondContact O-N 2.98Å; K356-Y472 WeakPolarHBondContact O-CE2 3.26Å
357G86.4Confident87.3Confident67 Ų6740.3 Ų40.369%0.69124%0.239SC*.THydrogen-bonded Turntrans-89.5-9.5176.100000114.5T353 A354 L355T353-G357 PolarHBondContact O-N 2.89Å; A354-G357 PolarHBondContact O-N 3.28Å; L355-G357 PolarHBondContact O-N 3.23Å
358C89Confident87.6Confident3 Ų336.1 Ų36.12%0.0222%0.219CC..SBendtrans-72.4144.8-178.7-67.60000111.9A354 L355 E362 L363 Y472A354-C358 PolarHBondContact O-N 2.99Å; A354-C358 PolarHBondContact O-SG 3.34Å; L355-C358 WeakPolarHBondContact O-CB 3.22Å; L355-C358 PolarHBondContact O-N 2.79Å; L355-C358 VanDerWaalsContact O-N 3.15Å; C358-E362 HydrophobicContact CB-CB 3.98Å; C358-L363 HydrophobicContact CB-CD2 3.95Å; C358-L363 HydrophobicContact CB-CG 4.05Å; C358-Y472 PolarHBondContact O-OH 2.99Å
359S90.7Very high88.2Confident52 Ų5231.6 Ų31.636%0.36420%0.198SC..  trans-65.1159.7169.466.90000111.9L361 E362 L363S359-L361 PolarHBondContact O-N 2.69Å; S359-E362 WeakPolarHBondContact CB-OE2 3.02Å; S359-E362 PolarHBondContact N-OE2 3.34Å; S359-E362 WeakPolarHBondContact O-CB 3.39Å; S359-E362 PolarHBondContact O-N 2.83Å; S359-E362 WeakPolarHBondContact OG-CB 3.41Å; S359-E362 WeakPolarHBondContact OG-CG 3.47Å; S359-E362 PolarHBondContact OG-N 3.14Å; S359-E362 PolarHBondContact OG-OE2 3.04Å; S359-L363 WeakPolarHBondContact O-CG 3.37Å; S359-L363 PolarHBondContact O-N 3.1Å
360V91.1Very high88.6Confident40 Ų4028.1 Ų28.124%0.24218%0.179CC..Hα-helixtrans-56.4-39.5177.8176.10000111.9L363 F364 P476V360-L363 PolarHBondContact O-N 2.8Å; V360-F364 HydrophobicContact CG1-CD2 3.88Å; V360-F364 HydrophobicContact CG1-CE2 3.57Å; V360-F364 WeakPolarHBondContact O-CD2 3.41Å; V360-F364 PolarHBondContact O-N 3.49Å; V360-P476 HydrophobicContact CG1-CG 3.49Å; V360-P476 VanDerWaalsContact CG1-CG 3.49Å
361L92.5Very high89.1Confident17 Ų1724.2 Ų24.29%0.08915%0.15CC..Hα-helixtrans-63.3-46.2175.7177.755.9000111.6S359 L363 F364 L365 Y390 Y403 V407 V408 A411S359-L361 PolarHBondContact O-N 2.69Å; L361-L363 VanDerWaalsContact C-N 3.28Å; L361-L363 PolarHBondContact O-N 3.01Å; L361-F364 WeakPolarHBondContact O-CB 3.37Å; L361-F364 PolarHBondContact O-N 2.93Å; L361-F364 VanDerWaalsContact O-N 3.16Å; L361-L365 WeakPolarHBondContact O-CG 3.27Å; L361-L365 PolarHBondContact O-N 2.94Å; L361-Y390 HydrophobicContact CD1-CE2 3.87Å; L361-Y403 HydrophobicContact CB-CD2 4.5Å; L361-Y403 HydrophobicContact CB-CE2 4.29Å; L361-Y403 HydrophobicContact CD1-CD2 3.64Å; L361-Y403 HydrophobicContact CD1-CE2 4.16Å; L361-Y403 HydrophobicContact CD2-CD2 3.79Å; L361-Y403 HydrophobicContact CD2-CE2 4.24Å; L361-Y403 HydrophobicContact CD2-CG 4.13Å; L361-Y403 HydrophobicContact CG-CD2 4.18Å; L361-Y403 HydrophobicContact CG-CE2 4.46Å; L361-V407 HydrophobicContact CD2-CG1 4.17Å; L361-V408 HydrophobicContact CD1-CG2 4.43Å; L361-A411 HydrophobicContact CD2-CB 3.84Å; L361-A411 HydrophobicContact CG-CB 4.12Å
362E92.8Very high89.4Confident13 Ų1321.6 Ų21.66%0.06114%0.14CC..Hα-helixtrans-60.2-38.9177-75.116416600111.3C358 S359 L365 I366 A411 N414 L415C358-E362 HydrophobicContact CB-CB 3.98Å; S359-E362 WeakPolarHBondContact CB-OE2 3.02Å; S359-E362 PolarHBondContact N-OE2 3.34Å; S359-E362 WeakPolarHBondContact O-CB 3.39Å; S359-E362 PolarHBondContact O-N 2.83Å; S359-E362 WeakPolarHBondContact OG-CB 3.41Å; S359-E362 WeakPolarHBondContact OG-CG 3.47Å; S359-E362 PolarHBondContact OG-N 3.14Å; S359-E362 PolarHBondContact OG-OE2 3.04Å; E362-L365 PolarHBondContact O-N 3.19Å; E362-I366 WeakPolarHBondContact O-CG1 3.42Å; E362-I366 PolarHBondContact O-N 2.81Å; E362-A411 HydrophobicContact CG-CB 4.2Å; E362-N414 WeakPolarHBondContact OE1-CB 3.45Å; E362-N414 PolarHBondContact OE1-ND2 3.4Å; E362-L415 HydrophobicContact CB-CD1 4.21Å; E362-L415 HydrophobicContact CB-CD2 3.87Å; E362-L415 HydrophobicContact CB-CG 4.18Å; E362-L415 HydrophobicContact CG-CD1 4.3Å; E362-L415 HydrophobicContact CG-CD2 4.02Å; E362-L415 HydrophobicContact CG-CG 3.97Å
363L92.3Very high89.8Confident0 Ų021.1 Ų21.10%014%0.136CC..Hα-helixtrans-65.6-38.4173.9-67174.1000113.2C358 S359 V360 L361 L365 I366 T367 L469 Y472 L479C358-L363 HydrophobicContact CB-CD2 3.95Å; C358-L363 HydrophobicContact CB-CG 4.05Å; S359-L363 WeakPolarHBondContact O-CG 3.37Å; S359-L363 PolarHBondContact O-N 3.1Å; V360-L363 PolarHBondContact O-N 2.8Å; L361-L363 VanDerWaalsContact C-N 3.28Å; L361-L363 PolarHBondContact O-N 3.01Å; L363-L365 VanDerWaalsContact C-N 3.31Å; L363-L365 PolarHBondContact O-N 3.31Å; L363-I366 PolarHBondContact O-N 2.82Å; L363-T367 WeakPolarHBondContact O-CB 3.26Å; L363-T367 PolarHBondContact O-N 3.22Å; L363-T367 PolarHBondContact O-OG1 3.4Å; L363-L469 HydrophobicContact CB-CD2 4.36Å; L363-L469 HydrophobicContact CD1-CD2 4.11Å; L363-L469 HydrophobicContact CD2-CD2 4.32Å; L363-Y472 HydrophobicContact CD1-CD1 4.16Å; L363-Y472 HydrophobicContact CD1-CD2 3.85Å; L363-Y472 HydrophobicContact CD1-CE1 4.05Å; L363-Y472 HydrophobicContact CD1-CE2 3.72Å; L363-Y472 HydrophobicContact CD1-CG 4.08Å; L363-L479 HydrophobicContact CB-CD2 3.83Å
364F93.1Very high89.9Confident0 Ų021.9 Ų21.90%014%0.138CC..Hα-helixtrans-60.3-42.4171.9-84.7-68.3000111.3V360 L361 T367 A368 Y390 F393 H401 P476 L479 W482V360-F364 HydrophobicContact CG1-CD2 3.88Å; V360-F364 HydrophobicContact CG1-CE2 3.57Å; V360-F364 WeakPolarHBondContact O-CD2 3.41Å; V360-F364 PolarHBondContact O-N 3.49Å; L361-F364 WeakPolarHBondContact O-CB 3.37Å; L361-F364 PolarHBondContact O-N 2.93Å; L361-F364 VanDerWaalsContact O-N 3.16Å; F364-T367 PolarHBondContact O-N 3.36Å; F364-A368 WeakPolarHBondContact O-CB 3.32Å; F364-A368 PolarHBondContact O-N 3.41Å; F364-Y390 HydrophobicContact CB-CD2 4.09Å; F364-Y390 HydrophobicContact CB-CE2 4.11Å; F364-F393 HydrophobicContact CD1-CD1 4.44Å; F364-F393 HydrophobicContact CD1-CE1 4.48Å; F364-F393 HydrophobicContact CE1-CD1 4.17Å; F364-F393 AromaticContact CE1-CE1 3.83Å; F364-F393 HydrophobicContact CE1-CE1 3.83Å; F364-H401 HydrophobicContact CD2-CB 4.42Å; F364-H401 HydrophobicContact CE2-CB 3.85Å; F364-H401 AromaticContact CE2-CD2 3.83Å; F364-H401 AromaticContact CE2-CG 3.69Å; F364-H401 HydrophobicContact CZ-CB 4.36Å; F364-P476 HydrophobicContact CE2-CG 4.2Å; F364-P476 HydrophobicContact CZ-CB 4.28Å; F364-P476 HydrophobicContact CZ-CG 4.27Å; F364-L479 HydrophobicContact CD1-CB 4.49Å; F364-L479 HydrophobicContact CD1-CD1 3.61Å; F364-L479 HydrophobicContact CD1-CG 4.46Å; F364-L479 HydrophobicContact CE1-CB 3.8Å; F364-L479 HydrophobicContact CE1-CD1 3.76Å; F364-L479 HydrophobicContact CE1-CG 4.24Å; F364-L479 HydrophobicContact CG-CD1 4.22Å; F364-L479 HydrophobicContact CZ-CB 3.91Å; F364-W482 HydrophobicContact CD1-CE3 4.02Å; F364-W482 AromaticContact CD1-CZ3 3.9Å; F364-W482 HydrophobicContact CD1-CZ3 3.9Å; F364-W482 HydrophobicContact CE1-CE3 4.47Å
365L93.5Very high89.8Confident0 Ų024.6 Ų24.60%015%0.145CC..Hα-helixtrans-67.8-43.9179-62.6175.4000112.1L361 E362 L363 T367 A368 M369 Y390 V408 A411 L415L361-L365 WeakPolarHBondContact O-CG 3.27Å; L361-L365 PolarHBondContact O-N 2.94Å; E362-L365 PolarHBondContact O-N 3.19Å; L363-L365 VanDerWaalsContact C-N 3.31Å; L363-L365 PolarHBondContact O-N 3.31Å; L365-T367 VanDerWaalsContact C-N 3.31Å; L365-T367 PolarHBondContact O-N 2.99Å; L365-A368 PolarHBondContact O-N 2.72Å; L365-M369 VanDerWaalsContact O-CB 3.26Å; L365-M369 WeakPolarHBondContact O-CB 3.41Å; L365-M369 PolarHBondContact O-N 2.91Å; L365-Y390 HydrophobicContact CD2-CD2 4.3Å; L365-Y390 HydrophobicContact CD2-CG 4.2Å; L365-V408 HydrophobicContact CD1-CG1 3.95Å; L365-V408 HydrophobicContact CD2-CG1 3.49Å; L365-V408 VanDerWaalsContact CD2-CG1 3.49Å; L365-V408 HydrophobicContact CG-CG1 4.32Å; L365-A411 HydrophobicContact CD1-CB 3.86Å; L365-L415 HydrophobicContact CB-CD1 4.15Å; L365-L415 HydrophobicContact CD1-CD1 4.45Å
366I92.9Very high89.6Confident0 Ų028.1 Ų28.10%016%0.164CC..Hα-helixtrans-60.5-44.4175.1-67172.7000110L355 E362 L363 A368 M369 V370 L415 L420 V460 L465L355-I366 HydrophobicContact CD2-CD1 3.56Å; L355-I366 HydrophobicContact CD2-CG2 4.33Å; E362-I366 WeakPolarHBondContact O-CG1 3.42Å; E362-I366 PolarHBondContact O-N 2.81Å; L363-I366 PolarHBondContact O-N 2.82Å; I366-A368 PolarHBondContact O-N 2.9Å; I366-M369 PolarHBondContact O-N 2.99Å; I366-M369 VanDerWaalsContact O-N 3.16Å; I366-V370 HydrophobicContact CG2-CG2 4.23Å; I366-V370 WeakPolarHBondContact O-CG2 3.27Å; I366-V370 PolarHBondContact O-N 2.88Å; I366-L415 HydrophobicContact CD1-CD1 4.44Å; I366-L415 HydrophobicContact CD1-CD2 3.8Å; I366-L415 HydrophobicContact CG1-CD1 3.94Å; I366-L415 HydrophobicContact CG1-CD2 4.22Å; I366-L420 HydrophobicContact CD1-CD1 4.09Å; I366-V460 HydrophobicContact CG2-CB 4.21Å; I366-V460 HydrophobicContact CG2-CG1 4.24Å; I366-V460 HydrophobicContact CG2-CG2 4.24Å; I366-L465 HydrophobicContact CG2-CD1 3.99Å; I366-L465 HydrophobicContact CG2-CD2 4.19Å
367T92Very high89.3Confident0 Ų030 Ų300%018%0.182CC..Hα-helixtrans-61.7-46.3178.3-57.10000112.3L363 F364 L365 M369 K371 L479 W482 I483L363-T367 WeakPolarHBondContact O-CB 3.26Å; L363-T367 PolarHBondContact O-N 3.22Å; L363-T367 PolarHBondContact O-OG1 3.4Å; F364-T367 PolarHBondContact O-N 3.36Å; L365-T367 VanDerWaalsContact C-N 3.31Å; L365-T367 PolarHBondContact O-N 2.99Å; T367-M369 VanDerWaalsContact C-N 3.26Å; T367-M369 PolarHBondContact O-N 3.06Å; T367-K371 PolarHBondContact O-N 3.44Å; T367-K371 VanDerWaalsContact O-N 3.11Å; T367-L479 HydrophobicContact CG2-CD1 4.04Å; T367-L479 WeakPolarHBondContact OG1-CD1 3.48Å; T367-W482 HydrophobicContact CG2-CD2 3.91Å; T367-W482 HydrophobicContact CG2-CE3 3.64Å; T367-W482 HydrophobicContact CG2-CG 4.33Å; T367-W482 HydrophobicContact CG2-CZ3 4.2Å; T367-I483 HydrophobicContact CG2-CB 4.38Å; T367-I483 HydrophobicContact CG2-CD1 4.1Å
368A92.4Very high88.8Confident0 Ų028.6 Ų28.60%017%0.168CC..Hα-helixtrans-59.1-41.6174.800000111.2F364 L365 I366 L372 L386 W482F364-A368 WeakPolarHBondContact O-CB 3.32Å; F364-A368 PolarHBondContact O-N 3.41Å; L365-A368 PolarHBondContact O-N 2.72Å; I366-A368 PolarHBondContact O-N 2.9Å; A368-L372 WeakPolarHBondContact O-CB 3.46Å; A368-L372 VanDerWaalsContact O-CG 3.27Å; A368-L372 WeakPolarHBondContact O-CG 3.37Å; A368-L372 PolarHBondContact O-N 3.27Å; A368-L386 HydrophobicContact CB-CD1 3.69Å; A368-W482 HydrophobicContact CB-CH2 3.57Å; A368-W482 HydrophobicContact CB-CZ2 4.33Å; A368-W482 HydrophobicContact CB-CZ3 4.2Å
369M91.2Very high88.4Confident0 Ų035.3 Ų35.30%020%0.197CC..Hα-helixtrans-69.5-46.6-177.4-167.5165.1-179.200112.7L365 I366 T367 K371 L372 Q373 L386 I421 L456 C458L365-M369 VanDerWaalsContact O-CB 3.26Å; L365-M369 WeakPolarHBondContact O-CB 3.41Å; L365-M369 PolarHBondContact O-N 2.91Å; I366-M369 PolarHBondContact O-N 2.99Å; I366-M369 VanDerWaalsContact O-N 3.16Å; T367-M369 VanDerWaalsContact C-N 3.26Å; T367-M369 PolarHBondContact O-N 3.06Å; M369-K371 VanDerWaalsContact C-N 3.31Å; M369-K371 PolarHBondContact O-N 3.49Å; M369-L372 PolarHBondContact O-N 3.42Å; M369-L372 VanDerWaalsContact O-N 3.17Å; M369-Q373 WeakPolarHBondContact O-CG 3.32Å; M369-Q373 PolarHBondContact O-N 3.01Å; M369-Q373 PolarHBondContact O-OE1 2.89Å; M369-L386 HydrophobicContact CB-CD1 3.74Å; M369-L386 HydrophobicContact CG-CD1 4.42Å; M369-I421 HydrophobicContact CE-CG2 3.98Å; M369-I421 HydrophobicContact SD-CD1 3.6Å; M369-I421 HydrophobicContact SD-CG1 3.91Å; M369-I421 HydrophobicContact SD-CG2 4.03Å; M369-L456 HydrophobicContact CE-CB 3.43Å; M369-L456 VanDerWaalsContact CE-CB 3.43Å; M369-C458 HydrophobicContact CE-CB 4.02Å; M369-C458 VanDerWaalsContact CE-N 3.29Å; M369-C458 HydrophobicContact CG-CB 3.98Å; M369-C458 HydrophobicContact SD-CB 3.76Å
370V90.2Very high87.9Confident2 Ų234 Ų341%0.01219%0.186CC..Hα-helixtrans-58-45.9175.9170.90000110I366 L372 Q373 D374 V460 N462 L465I366-V370 HydrophobicContact CG2-CG2 4.23Å; I366-V370 WeakPolarHBondContact O-CG2 3.27Å; I366-V370 PolarHBondContact O-N 2.88Å; V370-L372 PolarHBondContact O-N 3.5Å; V370-Q373 PolarHBondContact O-N 3.21Å; V370-D374 PolarHBondContact O-N 2.79Å; V370-V460 HydrophobicContact CG2-CB 4.3Å; V370-V460 HydrophobicContact CG2-CG1 4.48Å; V370-V460 WeakPolarHBondContact CG2-O 3.32Å; V370-N462 HydrophobicContact CG1-CB 4.11Å; V370-L465 HydrophobicContact CB-CD2 4.2Å; V370-L465 HydrophobicContact CG2-CD2 4.02Å
371K88.8Confident87.7Confident13 Ų1332.4 Ų32.46%0.05718%0.177CC..Hα-helixtrans-60.7-44.4174.8-77.3-167.1161.7-155.80113T367 M369 Q373 D374 M375 W482 S485T367-K371 PolarHBondContact O-N 3.44Å; T367-K371 VanDerWaalsContact O-N 3.11Å; M369-K371 VanDerWaalsContact C-N 3.31Å; M369-K371 PolarHBondContact O-N 3.49Å; K371-Q373 VanDerWaalsContact C-N 3.3Å; K371-Q373 PolarHBondContact O-N 3.49Å; K371-D374 PolarHBondContact O-N 2.81Å; K371-M375 WeakPolarHBondContact O-CB 3.39Å; K371-M375 WeakPolarHBondContact O-CG 3.48Å; K371-M375 PolarHBondContact O-N 2.62Å; K371-W482 WeakPolarHBondContact CE-O 3.24Å; K371-W482 PolarHBondContact NZ-O 2.96Å; K371-S485 PolarHBondContact NZ-O 3.37Å; K371-S485 PolarHBondContact NZ-OG 3.05Å; K371-S485 VanDerWaalsContact NZ-OG 3.07Å
372L89.6Confident87.5Confident19 Ų1933.5 Ų33.510%0.09918%0.183CC..Hα-helixtrans-65.8-32.9178.3-75.3173.4000112.7A368 M369 V370 N376 V381 L386 E389A368-L372 WeakPolarHBondContact O-CB 3.46Å; A368-L372 VanDerWaalsContact O-CG 3.27Å; A368-L372 WeakPolarHBondContact O-CG 3.37Å; A368-L372 PolarHBondContact O-N 3.27Å; M369-L372 PolarHBondContact O-N 3.42Å; M369-L372 VanDerWaalsContact O-N 3.17Å; V370-L372 PolarHBondContact O-N 3.5Å; L372-N376 WeakPolarHBondContact O-CB 3.38Å; L372-N376 PolarHBondContact O-N 3.46Å; L372-N376 PolarHBondContact O-ND2 2.86Å; L372-V381 HydrophobicContact CB-CG1 4.14Å; L372-V381 HydrophobicContact CB-CG2 3.77Å; L372-V381 HydrophobicContact CD1-CG1 3.73Å; L372-L386 HydrophobicContact CD1-CB 4.44Å; L372-L386 HydrophobicContact CD1-CD1 4.33Å; L372-E389 HydrophobicContact CD1-CB 3.91Å; L372-E389 HydrophobicContact CD1-CG 4.4Å; L372-E389 HydrophobicContact CD2-CB 4.19Å; L372-E389 HydrophobicContact CD2-CG 4.17Å; L372-E389 HydrophobicContact CG-CB 4.18Å; L372-E389 HydrophobicContact CG-CG 4.15Å
373Q87.8Confident87.5Confident25 Ų2533.1 Ų33.112%0.11718%0.181CC..Hα-helixtrans-71-43174.8-73.9173.8-64.700111.8M369 V370 K371 M375 N376 V377 V381 F457 C458M369-Q373 WeakPolarHBondContact O-CG 3.32Å; M369-Q373 PolarHBondContact O-N 3.01Å; M369-Q373 PolarHBondContact O-OE1 2.89Å; V370-Q373 PolarHBondContact O-N 3.21Å; K371-Q373 VanDerWaalsContact C-N 3.3Å; K371-Q373 PolarHBondContact O-N 3.49Å; Q373-M375 PolarHBondContact O-N 2.9Å; Q373-N376 CarbonylContact O-C 3.59Å; Q373-N376 PolarHBondContact O-N 2.84Å; Q373-V377 PolarHBondContact O-N 3.32Å; Q373-V381 HydrophobicContact CG-CG2 3.84Å; Q373-F457 VanDerWaalsContact NE2-CE2 3.26Å; Q373-C458 PolarHBondContact NE2-O 3.49Å; Q373-C458 VanDerWaalsContact NE2-O 3.11Å
374D85.5Confident87.4Confident82 Ų8234.9 Ų34.944%0.43919%0.189SC..Hα-helixtrans-59.8-37.5174-73.2-17.1000111V370 K371 V377 N462V370-D374 PolarHBondContact O-N 2.79Å; K371-D374 PolarHBondContact O-N 2.81Å; D374-V377 WeakPolarHBondContact O-CG2 3.17Å; D374-N462 PolarHBondContact OD2-ND2 2.79Å
375M83.7Confident87.2Confident98 Ų9837.5 Ų37.548%0.48321%0.208SC..Hα-helixtrans-76.1-36.2179.8-69.3-71.4-105.100113.5K371 Q373 F488K371-M375 WeakPolarHBondContact O-CB 3.39Å; K371-M375 WeakPolarHBondContact O-CG 3.48Å; K371-M375 PolarHBondContact O-N 2.62Å; Q373-M375 PolarHBondContact O-N 2.9Å; M375-F488 HydrophobicContact CE-CB 3.27Å; M375-F488 HydrophobicContact CE-CD1 3.29Å; M375-F488 HydrophobicContact CE-CD2 4.09Å; M375-F488 HydrophobicContact CE-CE1 4.08Å; M375-F488 HydrophobicContact CE-CG 3.28Å; M375-F488 HydrophobicContact CG-CD1 3.86Å; M375-F488 HydrophobicContact CG-CE1 3.95Å; M375-F488 HydrophobicContact SD-CB 4.31Å; M375-F488 HydrophobicContact SD-CD1 3.24Å; M375-F488 WeakPolarHBondContact SD-CD1 3.29Å; M375-F488 HydrophobicContact SD-CD2 4.13Å; M375-F488 HydrophobicContact SD-CE1 3.36Å; M375-F488 WeakPolarHBondContact SD-CE1 3.25Å; M375-F488 HydrophobicContact SD-CE2 4.25Å; M375-F488 HydrophobicContact SD-CG 3.64Å; M375-F488 HydrophobicContact SD-CZ 3.89Å
376N81.8Confident87.1Confident74 Ų7437.5 Ų37.540%0.39621%0.208SC..THydrogen-bonded Turntrans-115.952.9-175.4-62-64.2000111.4L372 Q373 G378 K379L372-N376 WeakPolarHBondContact O-CB 3.38Å; L372-N376 PolarHBondContact O-N 3.46Å; L372-N376 PolarHBondContact O-ND2 2.86Å; Q373-N376 CarbonylContact O-C 3.59Å; Q373-N376 PolarHBondContact O-N 2.84Å; N376-G378 PolarHBondContact O-N 3.39Å; N376-K379 HydrophobicContact CB-CB 4.33Å; N376-K379 PolarHBondContact O-N 2.94Å
377V77.9Confident87.2Confident126 Ų12638.9 Ų38.976%0.76421%0.213SC*.THydrogen-bonded Turntrans-49.5126.3179.3-174.40000110.6Q373 D374Q373-V377 PolarHBondContact O-N 3.32Å; D374-V377 WeakPolarHBondContact O-CG2 3.17Å
378G77.2Confident87.2Confident37 Ų3742.2 Ų42.238%0.38124%0.236SC..THydrogen-bonded Turntrans86.8-6.2179.300000115.9N376 S431N376-G378 PolarHBondContact O-N 3.39Å; G378-S431 WeakPolarHBondContact CA-O 3.21Å
379K80.7Confident87.1Confident144 Ų14443.9 Ų43.963%0.62624%0.244SC*.SBendtrans-113.6132.2175.4-62.2-179.5-173.2173.70110N376N376-K379 HydrophobicContact CB-CB 4.33Å; N376-K379 PolarHBondContact O-N 2.94Å
380P78.8Confident87.2Confident23 Ų2343.9 Ų43.915%0.14924%0.244CC..  trans-69.8144.6175.130.6-34000110.4W445 P455P380-W445 HydrophobicContact CG-CE3 4.27Å; P380-W445 HydrophobicContact CG-CH2 3.05Å; P380-W445 HydrophobicContact CG-CZ2 3.55Å; P380-W445 HydrophobicContact CG-CZ3 3.44Å; P380-W445 VanDerWaalsContact CG-CZ3 3.44Å; P380-P455 HydrophobicContact CB-CB 3.5Å; P380-P455 VanDerWaalsContact CB-CB 3.5Å; P380-P455 HydrophobicContact CG-CB 3.66Å
381V86.7Confident87.3Confident7 Ų745 Ų454%0.04225%0.25CC..BIsolated β-bridgetrans-80.8145.8175.4-179.20000108.2L372 Q373 L386 L456L372-V381 HydrophobicContact CB-CG1 4.14Å; L372-V381 HydrophobicContact CB-CG2 3.77Å; L372-V381 HydrophobicContact CD1-CG1 3.73Å; Q373-V381 HydrophobicContact CG-CG2 3.84Å; V381-L386 HydrophobicContact CG1-CB 4.27Å; V381-L456 PolarHBondContact N-O 3.3Å; V381-L456 WeakPolarHBondContact O-CA 3.36Å; V381-L456 WeakPolarHBondContact O-CB 3.34Å; V381-L456 PolarHBondContact O-N 2.83Å
382N89.8Confident87.5Confident40 Ų4049.9 Ų49.921%0.21427%0.271CS..  trans-110.6167.617265.525.3000110.3E384 S385 L386N382-E384 VanDerWaalsContact C-N 3.34Å; N382-E384 PolarHBondContact O-N 3.03Å; N382-E384 PolarHBondContact OD1-N 3.28Å; N382-S385 PolarHBondContact O-N 3.37Å; N382-S385 WeakPolarHBondContact OD1-CA 3.47Å; N382-S385 WeakPolarHBondContact OD1-CB 3.42Å; N382-S385 PolarHBondContact OD1-N 3.15Å; N382-S385 PolarHBondContact OD1-OG 3.37Å; N382-L386 WeakPolarHBondContact O-CB 3.25Å; N382-L386 PolarHBondContact O-N 3.19Å
383F90.9Very high87.5Confident5 Ų549.5 Ų49.52%0.02227%0.269CS..Hα-helixtrans-64.5-36.8-178.4175.4-106.5000112.7L386 Y387 K405 V408 M409 L412 N452 L456F383-L386 PolarHBondContact O-N 3.35Å; F383-Y387 VanDerWaalsContact O-CB 3.27Å; F383-Y387 WeakPolarHBondContact O-CB 3.24Å; F383-Y387 PolarHBondContact O-N 3.48Å; F383-K405 HydrophobicContact CE1-CD 4.37Å; F383-K405 HydrophobicContact CE1-CG 3.85Å; F383-K405 HydrophobicContact CZ-CG 4.13Å; F383-V408 HydrophobicContact CE2-CG1 4.02Å; F383-V408 HydrophobicContact CZ-CG1 4.32Å; F383-M409 HydrophobicContact CD1-CE 3.96Å; F383-M409 HydrophobicContact CE1-CB 4.41Å; F383-M409 HydrophobicContact CE1-CE 3.49Å; F383-M409 VanDerWaalsContact CE1-CE 3.49Å; F383-M409 HydrophobicContact CE2-CB 4.18Å; F383-M409 HydrophobicContact CZ-CB 3.76Å; F383-M409 HydrophobicContact CZ-CE 4.02Å; F383-M409 HydrophobicContact CZ-CG 4.32Å; F383-L412 HydrophobicContact CB-CD2 4.42Å; F383-L412 HydrophobicContact CD2-CD2 3.53Å; F383-L412 HydrophobicContact CE2-CD2 4.19Å; F383-L412 HydrophobicContact CG-CD2 4.35Å; F383-N452 WeakPolarHBondContact CB-O 3.5Å; F383-N452 HydrophobicContact CD1-CB 4.1Å; F383-N452 PolarHBondContact N-O 3.24Å; F383-L456 HydrophobicContact CB-CD1 4.31Å
384E90.3Very high87.6Confident37 Ų3748.3 Ų48.317%0.17326%0.263CS..Hα-helixtrans-65.7-41179.8-63.5-64.2166.200112.6N382 S388 K405 N452 Y453N382-E384 VanDerWaalsContact C-N 3.34Å; N382-E384 PolarHBondContact O-N 3.03Å; N382-E384 PolarHBondContact OD1-N 3.28Å; E384-S388 VanDerWaalsContact O-CB 3.26Å; E384-S388 WeakPolarHBondContact O-CB 3.25Å; E384-S388 PolarHBondContact O-N 3.43Å; E384-S388 PolarHBondContact O-OG 3.12Å; E384-K405 WeakPolarHBondContact OE1-CE 3.32Å; E384-K405 IonicContact OE1-NZ 2.67Å; E384-K405 PolarHBondContact OE1-NZ 2.88Å; E384-K405 IonicContact OE2-NZ 2.75Å; E384-K405 PolarHBondContact OE2-NZ 3.45Å; E384-N452 HydrophobicContact CG-CB 4.08Å; E384-N452 VanDerWaalsContact OE1-CB 3.26Å; E384-N452 WeakPolarHBondContact OE1-CB 3.25Å; E384-N452 PolarHBondContact OE1-ND2 3.39Å; E384-Y453 HydrophobicContact CG-CE1 4.08Å; E384-Y453 HydrophobicContact CG-CE2 4.19Å
385S90Very high87.8Confident55 Ų5552.8 Ų52.839%0.38527%0.274SS..Hα-helixtrans-65.7-43.4173.9-66.30000110.9N382 S388 E389N382-S385 PolarHBondContact O-N 3.37Å; N382-S385 WeakPolarHBondContact OD1-CA 3.47Å; N382-S385 WeakPolarHBondContact OD1-CB 3.42Å; N382-S385 PolarHBondContact OD1-N 3.15Å; N382-S385 PolarHBondContact OD1-OG 3.37Å; S385-S388 PolarHBondContact O-N 3.21Å; S385-E389 PolarHBondContact O-N 3.48Å
386L92Very high88Confident0 Ų052 Ų520%028%0.278CS..Hα-helixtrans-59.2-50.3175.7-179.364.5000111.8A368 M369 L372 V381 N382 F383 S388 E389 Y390 L412 L456A368-L386 HydrophobicContact CB-CD1 3.69Å; M369-L386 HydrophobicContact CB-CD1 3.74Å; M369-L386 HydrophobicContact CG-CD1 4.42Å; L372-L386 HydrophobicContact CD1-CB 4.44Å; L372-L386 HydrophobicContact CD1-CD1 4.33Å; V381-L386 HydrophobicContact CG1-CB 4.27Å; N382-L386 WeakPolarHBondContact O-CB 3.25Å; N382-L386 PolarHBondContact O-N 3.19Å; F383-L386 PolarHBondContact O-N 3.35Å; L386-S388 VanDerWaalsContact C-N 3.33Å; L386-S388 PolarHBondContact O-N 3.09Å; L386-E389 PolarHBondContact O-N 3.09Å; L386-Y390 WeakPolarHBondContact O-CB 3.41Å; L386-Y390 PolarHBondContact O-N 3.49Å; L386-L412 HydrophobicContact CD2-CD1 4.28Å; L386-L456 HydrophobicContact CD2-CD1 4.47Å
387Y93.5Very high88.3Confident30 Ų3052.2 Ų52.212%0.11828%0.279CS..Hα-helixtrans-64.9-38179.6-175.3-117.4000111.6F383 Y390 L391 K405 V408F383-Y387 VanDerWaalsContact O-CB 3.27Å; F383-Y387 WeakPolarHBondContact O-CB 3.24Å; F383-Y387 PolarHBondContact O-N 3.48Å; Y387-Y390 AromaticContact CD2-CD1 3.92Å; Y387-Y390 HydrophobicContact CD2-CD1 3.92Å; Y387-Y390 HydrophobicContact CD2-CE1 4.39Å; Y387-Y390 HydrophobicContact CE2-CD1 4.09Å; Y387-Y390 HydrophobicContact CE2-CE1 4.14Å; Y387-L391 HydrophobicContact CD1-CD1 3.65Å; Y387-L391 HydrophobicContact CD1-CG 4.13Å; Y387-L391 HydrophobicContact CD2-CG 4.3Å; Y387-L391 HydrophobicContact CE1-CD1 3.26Å; Y387-L391 HydrophobicContact CE1-CD2 4.31Å; Y387-L391 HydrophobicContact CE1-CG 3.83Å; Y387-L391 HydrophobicContact CE2-CD1 4.34Å; Y387-L391 HydrophobicContact CE2-CD2 4.11Å; Y387-L391 HydrophobicContact CE2-CG 3.98Å; Y387-L391 HydrophobicContact CG-CD1 4.35Å; Y387-L391 HydrophobicContact CG-CG 4.37Å; Y387-L391 VanDerWaalsContact O-CB 3.25Å; Y387-L391 WeakPolarHBondContact O-CB 3.35Å; Y387-L391 WeakPolarHBondContact O-CG 3.47Å; Y387-L391 PolarHBondContact O-N 2.96Å; Y387-K405 HydrophobicContact CD1-CD 4.24Å; Y387-K405 HydrophobicContact CD1-CG 4.28Å; Y387-K405 HydrophobicContact CE1-CB 3.98Å; Y387-K405 HydrophobicContact CE1-CD 4.04Å; Y387-K405 HydrophobicContact CE1-CG 4.03Å; Y387-K405 HydrophobicContact CE2-CB 4.3Å; Y387-K405 PolarHBondContact OH-N 3.12Å; Y387-V408 HydrophobicContact CD2-CB 4.12Å; Y387-V408 HydrophobicContact CD2-CG1 3.91Å; Y387-V408 HydrophobicContact CD2-CG2 4.22Å; Y387-V408 HydrophobicContact CE2-CB 4.15Å; Y387-V408 HydrophobicContact CE2-CG1 4.41Å; Y387-V408 HydrophobicContact CE2-CG2 3.88Å
388S92Very high88.7Confident69 Ų6946.5 Ų46.548%0.48324%0.244SC..Hα-helixtrans-64.2-43176.9-61.50000112.3E384 S385 L386 L391 K392E384-S388 VanDerWaalsContact O-CB 3.26Å; E384-S388 WeakPolarHBondContact O-CB 3.25Å; E384-S388 PolarHBondContact O-N 3.43Å; E384-S388 PolarHBondContact O-OG 3.12Å; S385-S388 PolarHBondContact O-N 3.21Å; L386-S388 VanDerWaalsContact C-N 3.33Å; L386-S388 PolarHBondContact O-N 3.09Å; S388-L391 PolarHBondContact O-N 3.17Å; S388-K392 WeakPolarHBondContact O-CB 3.24Å; S388-K392 PolarHBondContact O-N 2.54Å
389E90.3Very high89.2Confident36 Ų3649.2 Ų49.217%0.16826%0.256CS..Hα-helixtrans-68-43.8178.2-169.858.8-148.800111.5L372 S385 L386 L391 K392 F393 W482L372-E389 HydrophobicContact CD1-CB 3.91Å; L372-E389 HydrophobicContact CD1-CG 4.4Å; L372-E389 HydrophobicContact CD2-CB 4.19Å; L372-E389 HydrophobicContact CD2-CG 4.17Å; L372-E389 HydrophobicContact CG-CB 4.18Å; L372-E389 HydrophobicContact CG-CG 4.15Å; S385-E389 PolarHBondContact O-N 3.48Å; L386-E389 PolarHBondContact O-N 3.09Å; E389-L391 PolarHBondContact O-N 3.19Å; E389-K392 PolarHBondContact O-N 3.43Å; E389-K392 IonicContact OE1-NZ 3.94Å; E389-F393 PolarHBondContact O-N 3.48Å; E389-F393 VanDerWaalsContact O-N 3.09Å; E389-W482 HydrophobicContact CG-CZ2 4.27Å
390Y93.4Very high89.5Confident0 Ų045.7 Ų45.70%026%0.26CS..Hα-helixtrans-57.7-47.7171.8161.7-100.6000112.1L361 F364 L365 L386 Y387 K392 F393 C394 H401 Y403 V408L361-Y390 HydrophobicContact CD1-CE2 3.87Å; F364-Y390 HydrophobicContact CB-CD2 4.09Å; F364-Y390 HydrophobicContact CB-CE2 4.11Å; L365-Y390 HydrophobicContact CD2-CD2 4.3Å; L365-Y390 HydrophobicContact CD2-CG 4.2Å; L386-Y390 WeakPolarHBondContact O-CB 3.41Å; L386-Y390 PolarHBondContact O-N 3.49Å; Y387-Y390 AromaticContact CD2-CD1 3.92Å; Y387-Y390 HydrophobicContact CD2-CD1 3.92Å; Y387-Y390 HydrophobicContact CD2-CE1 4.39Å; Y387-Y390 HydrophobicContact CE2-CD1 4.09Å; Y387-Y390 HydrophobicContact CE2-CE1 4.14Å; Y390-K392 PolarHBondContact O-N 3.45Å; Y390-F393 PolarHBondContact O-N 3.28Å; Y390-C394 WeakPolarHBondContact CE2-SG 3.46Å; Y390-C394 WeakPolarHBondContact O-CB 3.29Å; Y390-C394 PolarHBondContact O-N 2.9Å; Y390-H401 PolarHBondContact OH-O 2.87Å; Y390-Y403 WeakPolarHBondContact OH-CD2 3.47Å; Y390-Y403 PolarHBondContact OH-N 3.38Å; Y390-V408 HydrophobicContact CD1-CG2 4.43Å; Y390-V408 HydrophobicContact CE1-CG2 3.78Å
391L93.6Very high89.9Confident24 Ų2447 Ų4713%0.12626%0.264CS..Hα-helixtrans-61.1-44.3177.6-82.1-179.4000112.1Y387 S388 E389 F393 R395 L402Y387-L391 HydrophobicContact CD1-CD1 3.65Å; Y387-L391 HydrophobicContact CD1-CG 4.13Å; Y387-L391 HydrophobicContact CD2-CG 4.3Å; Y387-L391 HydrophobicContact CE1-CD1 3.26Å; Y387-L391 HydrophobicContact CE1-CD2 4.31Å; Y387-L391 HydrophobicContact CE1-CG 3.83Å; Y387-L391 HydrophobicContact CE2-CD1 4.34Å; Y387-L391 HydrophobicContact CE2-CD2 4.11Å; Y387-L391 HydrophobicContact CE2-CG 3.98Å; Y387-L391 HydrophobicContact CG-CD1 4.35Å; Y387-L391 HydrophobicContact CG-CG 4.37Å; Y387-L391 VanDerWaalsContact O-CB 3.25Å; Y387-L391 WeakPolarHBondContact O-CB 3.35Å; Y387-L391 WeakPolarHBondContact O-CG 3.47Å; Y387-L391 PolarHBondContact O-N 2.96Å; S388-L391 PolarHBondContact O-N 3.17Å; E389-L391 PolarHBondContact O-N 3.19Å; L391-F393 VanDerWaalsContact C-N 3.32Å; L391-F393 PolarHBondContact O-N 3.3Å; L391-R395 VanDerWaalsContact O-CB 3.29Å; L391-R395 WeakPolarHBondContact O-CB 3.4Å; L391-R395 WeakPolarHBondContact O-CG 3.43Å; L391-R395 PolarHBondContact O-N 3.04Å; L391-L402 HydrophobicContact CD2-CD1 3.51Å; L391-L402 HydrophobicContact CD2-CG 4.42Å
392K91.1Very high90.1Very high116 Ų11650.1 Ų50.150%0.50428%0.28SS..Hα-helixtrans-56.9-48.3178.8179.2-170.3169.5-154.10110.1S388 E389 Y390 S396 F488S388-K392 WeakPolarHBondContact O-CB 3.24Å; S388-K392 PolarHBondContact O-N 2.54Å; E389-K392 PolarHBondContact O-N 3.43Å; E389-K392 IonicContact OE1-NZ 3.94Å; Y390-K392 PolarHBondContact O-N 3.45Å; K392-S396 PolarHBondContact O-N 2.89Å; K392-S396 PolarHBondContact O-OG 3.45Å; K392-F488 PolarHBondContact NZ-OXT 3.12Å
393F89.7Confident90.2Very high12 Ų1252.7 Ų52.75%0.05329%0.288CS..Hα-helixtrans-68.5-49.2-179.5-176.7-92.6000113.2F364 E389 Y390 L391 R395 S396 N397 E478 W482F364-F393 HydrophobicContact CD1-CD1 4.44Å; F364-F393 HydrophobicContact CD1-CE1 4.48Å; F364-F393 HydrophobicContact CE1-CD1 4.17Å; F364-F393 AromaticContact CE1-CE1 3.83Å; F364-F393 HydrophobicContact CE1-CE1 3.83Å; E389-F393 PolarHBondContact O-N 3.48Å; E389-F393 VanDerWaalsContact O-N 3.09Å; Y390-F393 PolarHBondContact O-N 3.28Å; L391-F393 VanDerWaalsContact C-N 3.32Å; L391-F393 PolarHBondContact O-N 3.3Å; F393-R395 VanDerWaalsContact C-N 3.31Å; F393-R395 PolarHBondContact O-N 2.73Å; F393-S396 PolarHBondContact O-N 3.36Å; F393-S396 PolarHBondContact O-OG 2.9Å; F393-N397 VanDerWaalsContact CD2-ND2 3.26Å; F393-N397 WeakPolarHBondContact CD2-ND2 3.45Å; F393-N397 HydrophobicContact CE1-CB 4.15Å; F393-N397 HydrophobicContact CE2-CB 4.19Å; F393-N397 WeakPolarHBondContact CE2-ND2 3.08Å; F393-N397 HydrophobicContact CZ-CB 3.84Å; F393-N397 PolarHBondContact O-N 3.36Å; F393-E478 HydrophobicContact CE1-CB 4.39Å; F393-E478 HydrophobicContact CZ-CB 4.27Å; F393-E478 WeakPolarHBondContact CZ-O 3.35Å; F393-W482 HydrophobicContact CB-CD2 4.34Å; F393-W482 HydrophobicContact CB-CH2 3.72Å; F393-W482 HydrophobicContact CB-CZ2 3.55Å; F393-W482 HydrophobicContact CB-CZ3 4.23Å; F393-W482 AromaticContact CD1-CD2 3.85Å; F393-W482 HydrophobicContact CD1-CD2 3.85Å; F393-W482 AromaticContact CD1-CE3 3.66Å; F393-W482 HydrophobicContact CD1-CE3 3.66Å; F393-W482 HydrophobicContact CD1-CG 4.4Å; F393-W482 HydrophobicContact CD1-CH2 4.26Å; F393-W482 HydrophobicContact CD1-CZ2 4.46Å; F393-W482 AromaticContact CD1-CZ3 3.89Å; F393-W482 HydrophobicContact CD1-CZ3 3.89Å; F393-W482 HydrophobicContact CD2-CB 4.25Å; F393-W482 AromaticContact CD2-CD1 3.4Å; F393-W482 AromaticContact CD2-CD2 3.48Å; F393-W482 HydrophobicContact CD2-CD2 3.48Å; F393-W482 VanDerWaalsContact CD2-CD2 3.48Å; F393-W482 AromaticContact CD2-CE2 3.41Å; F393-W482 VanDerWaalsContact CD2-CE2 3.41Å; F393-W482 HydrophobicContact CD2-CE3 4.17Å; F393-W482 AromaticContact CD2-CG 3.5Å; F393-W482 HydrophobicContact CD2-CG 3.5Å; F393-W482 VanDerWaalsContact CD2-CG 3.5Å; F393-W482 HydrophobicContact CD2-CZ2 4.03Å; F393-W482 AromaticContact CD2-NE1 3.38Å; F393-W482 HydrophobicContact CE1-CB 4.2Å; F393-W482 HydrophobicContact CE1-CD2 4.05Å; F393-W482 AromaticContact CE1-CE3 3.92Å; F393-W482 HydrophobicContact CE1-CE3 3.92Å; F393-W482 HydrophobicContact CE1-CG 4.21Å; F393-W482 HydrophobicContact CE2-CB 3.49Å; F393-W482 VanDerWaalsContact CE2-CB 3.49Å; F393-W482 AromaticContact CE2-CD1 3.35Å; F393-W482 AromaticContact CE2-CD2 3.67Å; F393-W482 HydrophobicContact CE2-CD2 3.67Å; F393-W482 HydrophobicContact CE2-CE3 4.38Å; F393-W482 AromaticContact CE2-CG 3.23Å; F393-W482 HydrophobicContact CE2-CG 3.23Å; F393-W482 AromaticContact CE2-NE1 3.87Å; F393-W482 AromaticContact CG-CD2 3.58Å; F393-W482 HydrophobicContact CG-CD2 3.58Å; F393-W482 AromaticContact CG-CE2 3.54Å; F393-W482 AromaticContact CG-CE3 3.82Å; F393-W482 HydrophobicContact CG-CE3 3.82Å; F393-W482 HydrophobicContact CG-CG 4.09Å; F393-W482 AromaticContact CG-CH2 3.94Å; F393-W482 HydrophobicContact CG-CH2 3.94Å; F393-W482 AromaticContact CG-CZ2 3.74Å; F393-W482 HydrophobicContact CG-CZ2 3.74Å; F393-W482 AromaticContact CG-CZ3 4Å; F393-W482 HydrophobicContact CG-CZ3 4Å; F393-W482 HydrophobicContact CZ-CB 3.49Å; F393-W482 VanDerWaalsContact CZ-CB 3.49Å; F393-W482 AromaticContact CZ-CD2 3.98Å; F393-W482 HydrophobicContact CZ-CD2 3.98Å; F393-W482 HydrophobicContact CZ-CE3 4.29Å; F393-W482 AromaticContact CZ-CG 3.66Å; F393-W482 HydrophobicContact CZ-CG 3.66Å
394C90.5Very high90.3Very high0 Ų058.3 Ų58.30%032%0.318CS..Hα-helixtrans-65.1-34.8-177.5-72.60000112.3Y390 S396 C398 P399 L402Y390-C394 WeakPolarHBondContact CE2-SG 3.46Å; Y390-C394 WeakPolarHBondContact O-CB 3.29Å; Y390-C394 PolarHBondContact O-N 2.9Å; C394-S396 PolarHBondContact O-N 3.01Å; C394-C398 CarbonylContact O-C 3.41Å; C394-C398 PolarHBondContact O-N 2.96Å; C394-C398 VanDerWaalsContact O-N 3.07Å; C394-P399 WeakPolarHBondContact O-CA 3.48Å; C394-L402 HydrophobicContact CB-CD1 3.82Å
395R90.9Very high90.4Very high176 Ų17659.5 Ų59.566%0.66432%0.322SS*.Hα-helixtrans-65.9-36.4176-76.1176.9177.4-179.80.7113.3L391 F393 L402L391-R395 VanDerWaalsContact O-CB 3.29Å; L391-R395 WeakPolarHBondContact O-CB 3.4Å; L391-R395 WeakPolarHBondContact O-CG 3.43Å; L391-R395 PolarHBondContact O-N 3.04Å; F393-R395 VanDerWaalsContact C-N 3.31Å; F393-R395 PolarHBondContact O-N 2.73Å; R395-L402 HydrophobicContact CG-CD1 4.16Å
396S87.8Confident90.5Very high82 Ų8261.5 Ų61.557%0.57333%0.334SS*.Hα-helixtrans-83.1-38.9-177.657.30000113.1K392 F393 C394K392-S396 PolarHBondContact O-N 2.89Å; K392-S396 PolarHBondContact O-OG 3.45Å; F393-S396 PolarHBondContact O-N 3.36Å; F393-S396 PolarHBondContact O-OG 2.9Å; C394-S396 PolarHBondContact O-N 3.01Å
397N87.1Confident90.6Very high77 Ų7764.9 Ų64.941%0.41236%0.355SS..Hα-helixtrans-114-34.5-166.7-60-50.9000113.7F393F393-N397 VanDerWaalsContact CD2-ND2 3.26Å; F393-N397 WeakPolarHBondContact CD2-ND2 3.45Å; F393-N397 HydrophobicContact CE1-CB 4.15Å; F393-N397 HydrophobicContact CE2-CB 4.19Å; F393-N397 WeakPolarHBondContact CE2-ND2 3.08Å; F393-N397 HydrophobicContact CZ-CB 3.84Å; F393-N397 PolarHBondContact O-N 3.36Å
398C87.4Confident90.6Very high6 Ų663.5 Ų63.54%0.04135%0.349CS..  trans-147.972.1-171.657.50000113.3C394 G400 H401 E478C394-C398 CarbonylContact O-C 3.41Å; C394-C398 PolarHBondContact O-N 2.96Å; C394-C398 VanDerWaalsContact O-N 3.07Å; C398-G400 PolarHBondContact O-N 3.25Å; C398-G400 VanDerWaalsContact O-N 3.08Å; C398-H401 PolarHBondContact O-N 3.16Å; C398-H401 VanDerWaalsContact O-N 3.07Å; C398-E478 HydrophobicContact CB-CB 4.19Å; C398-E478 HydrophobicContact CB-CG 4.05Å
399P86.1Confident90.6Very high95 Ų9562.7 Ų62.762%0.61734%0.338SS*.G310 helixtrans-62.7-21.7-176.524.3-34.2000113.5C394 H401 L402C394-P399 WeakPolarHBondContact O-CA 3.48Å; P399-H401 PolarHBondContact O-N 3.14Å; P399-L402 VanDerWaalsContact O-CB 3.26Å; P399-L402 WeakPolarHBondContact O-CB 3.43Å; P399-L402 PolarHBondContact O-N 2.86Å
400G88.1Confident90.7Very high70 Ų7066.4 Ų66.472%0.72235%0.354SS*.G310 helixtrans-67-18.2176.100000114.7C398C398-G400 PolarHBondContact O-N 3.25Å; C398-G400 VanDerWaalsContact O-N 3.08Å
401H87.6Confident90.7Very high50 Ų5066.9 Ų66.923%0.23136%0.358CS..G310 helixtrans-10216176.7-64.696.8000112.3F364 Y390 C398 P399 Y403F364-H401 HydrophobicContact CD2-CB 4.42Å; F364-H401 HydrophobicContact CE2-CB 3.85Å; F364-H401 AromaticContact CE2-CD2 3.83Å; F364-H401 AromaticContact CE2-CG 3.69Å; F364-H401 HydrophobicContact CZ-CB 4.36Å; Y390-H401 PolarHBondContact OH-O 2.87Å; C398-H401 PolarHBondContact O-N 3.16Å; C398-H401 VanDerWaalsContact O-N 3.07Å; P399-H401 PolarHBondContact O-N 3.14Å; H401-Y403 WeakPolarHBondContact O-CD2 3.45Å; H401-Y403 WeakPolarHBondContact O-CE2 3.31Å
402L90.1Very high90.7Very high72 Ų7266.1 Ų66.138%0.37735%0.354SS..  trans-82.2113.6179-167.278.9000110.2L391 C394 R395 P399L391-L402 HydrophobicContact CD2-CD1 3.51Å; L391-L402 HydrophobicContact CD2-CG 4.42Å; C394-L402 HydrophobicContact CB-CD1 3.82Å; R395-L402 HydrophobicContact CG-CD1 4.16Å; P399-L402 VanDerWaalsContact O-CB 3.26Å; P399-L402 WeakPolarHBondContact O-CB 3.43Å; P399-L402 PolarHBondContact O-N 2.86Å
403Y92.8Very high90.7Very high95 Ų9564 Ų6437%0.37335%0.348SS..  trans-111.6152.4177.9-63.7-81.6000112.4L361 Y390 H401 V407L361-Y403 HydrophobicContact CB-CD2 4.5Å; L361-Y403 HydrophobicContact CB-CE2 4.29Å; L361-Y403 HydrophobicContact CD1-CD2 3.64Å; L361-Y403 HydrophobicContact CD1-CE2 4.16Å; L361-Y403 HydrophobicContact CD2-CD2 3.79Å; L361-Y403 HydrophobicContact CD2-CE2 4.24Å; L361-Y403 HydrophobicContact CD2-CG 4.13Å; L361-Y403 HydrophobicContact CG-CD2 4.18Å; L361-Y403 HydrophobicContact CG-CE2 4.46Å; Y390-Y403 WeakPolarHBondContact OH-CD2 3.47Å; Y390-Y403 PolarHBondContact OH-N 3.38Å; H401-Y403 WeakPolarHBondContact O-CD2 3.45Å; H401-Y403 WeakPolarHBondContact O-CE2 3.31Å; Y403-V407 HydrophobicContact CD1-CG1 4.23Å; Y403-V407 HydrophobicContact CG-CG1 4.37Å
404D92.6Very high90.8Very high122 Ų12265.9 Ų65.965%0.65236%0.359SS*.  trans-65150.3175.5-70.9-34.3000111.8P406 V407 V408D404-P406 VanDerWaalsContact C-CD 3.4Å; D404-P406 VanDerWaalsContact C-N 3.34Å; D404-V407 WeakPolarHBondContact O-CB 3.24Å; D404-V407 PolarHBondContact O-N 3.38Å; D404-V408 PolarHBondContact O-N 3.2Å; D404-V408 VanDerWaalsContact O-N 3.12Å
405K92Very high90.8Very high63 Ų6365.9 Ų65.927%0.27436%0.359SS..Hα-helixtrans-50.4-41.4-177-169.2170.5-179.4168.10114.7F383 E384 Y387 V407 V408 M409F383-K405 HydrophobicContact CE1-CD 4.37Å; F383-K405 HydrophobicContact CE1-CG 3.85Å; F383-K405 HydrophobicContact CZ-CG 4.13Å; E384-K405 WeakPolarHBondContact OE1-CE 3.32Å; E384-K405 IonicContact OE1-NZ 2.67Å; E384-K405 PolarHBondContact OE1-NZ 2.88Å; E384-K405 IonicContact OE2-NZ 2.75Å; E384-K405 PolarHBondContact OE2-NZ 3.45Å; Y387-K405 HydrophobicContact CD1-CD 4.24Å; Y387-K405 HydrophobicContact CD1-CG 4.28Å; Y387-K405 HydrophobicContact CE1-CB 3.98Å; Y387-K405 HydrophobicContact CE1-CD 4.04Å; Y387-K405 HydrophobicContact CE1-CG 4.03Å; Y387-K405 HydrophobicContact CE2-CB 4.3Å; Y387-K405 PolarHBondContact OH-N 3.12Å; K405-V407 VanDerWaalsContact C-N 3.34Å; K405-V407 PolarHBondContact O-N 2.92Å; K405-V408 PolarHBondContact O-N 2.99Å; K405-M409 WeakPolarHBondContact O-CB 3.44Å; K405-M409 PolarHBondContact O-N 3.41Å
406P92Very high90.8Very high96 Ų9659.6 Ų59.662%0.62334%0.338SS*.Hα-helixtrans-64.9-35.5177.2-21.734.8000113.4D404 M409 K410D404-P406 VanDerWaalsContact C-CD 3.4Å; D404-P406 VanDerWaalsContact C-N 3.34Å; P406-M409 PolarHBondContact O-N 3.1Å; P406-K410 PolarHBondContact O-N 3.25Å
407V93.3Very high90.8Very high72 Ų7261.6 Ų61.644%0.43634%0.342SS..Hα-helixtrans-68.7-43.7178.3-178.60000110L361 Y403 D404 K405 M409 K410 A411L361-V407 HydrophobicContact CD2-CG1 4.17Å; Y403-V407 HydrophobicContact CD1-CG1 4.23Å; Y403-V407 HydrophobicContact CG-CG1 4.37Å; D404-V407 WeakPolarHBondContact O-CB 3.24Å; D404-V407 PolarHBondContact O-N 3.38Å; K405-V407 VanDerWaalsContact C-N 3.34Å; K405-V407 PolarHBondContact O-N 2.92Å; V407-M409 VanDerWaalsContact C-N 3.35Å; V407-K410 PolarHBondContact O-N 3.29Å; V407-A411 PolarHBondContact O-N 3.3Å
408V93.9Very high90.7Very high0 Ų064.2 Ų64.20%035%0.35CS..Hα-helixtrans-64.8-39.2176.4178.90000111.8L361 L365 F383 Y387 Y390 D404 K405 K410 A411 L412L361-V408 HydrophobicContact CD1-CG2 4.43Å; L365-V408 HydrophobicContact CD1-CG1 3.95Å; L365-V408 HydrophobicContact CD2-CG1 3.49Å; L365-V408 VanDerWaalsContact CD2-CG1 3.49Å; L365-V408 HydrophobicContact CG-CG1 4.32Å; F383-V408 HydrophobicContact CE2-CG1 4.02Å; F383-V408 HydrophobicContact CZ-CG1 4.32Å; Y387-V408 HydrophobicContact CD2-CB 4.12Å; Y387-V408 HydrophobicContact CD2-CG1 3.91Å; Y387-V408 HydrophobicContact CD2-CG2 4.22Å; Y387-V408 HydrophobicContact CE2-CB 4.15Å; Y387-V408 HydrophobicContact CE2-CG1 4.41Å; Y387-V408 HydrophobicContact CE2-CG2 3.88Å; Y390-V408 HydrophobicContact CD1-CG2 4.43Å; Y390-V408 HydrophobicContact CE1-CG2 3.78Å; D404-V408 PolarHBondContact O-N 3.2Å; D404-V408 VanDerWaalsContact O-N 3.12Å; K405-V408 PolarHBondContact O-N 2.99Å; V408-K410 VanDerWaalsContact C-N 3.34Å; V408-A411 PolarHBondContact O-N 3.21Å; V408-L412 PolarHBondContact O-N 3.18Å
409M92Very high90.6Very high52 Ų5271.4 Ų71.426%0.25638%0.383SS..Hα-helixtrans-63-42174.6-169.7176.1-69.700111.4F383 K405 P406 V407 A411 L412 D413 N452F383-M409 HydrophobicContact CD1-CE 3.96Å; F383-M409 HydrophobicContact CE1-CB 4.41Å; F383-M409 HydrophobicContact CE1-CE 3.49Å; F383-M409 VanDerWaalsContact CE1-CE 3.49Å; F383-M409 HydrophobicContact CE2-CB 4.18Å; F383-M409 HydrophobicContact CZ-CB 3.76Å; F383-M409 HydrophobicContact CZ-CE 4.02Å; F383-M409 HydrophobicContact CZ-CG 4.32Å; K405-M409 WeakPolarHBondContact O-CB 3.44Å; K405-M409 PolarHBondContact O-N 3.41Å; P406-M409 PolarHBondContact O-N 3.1Å; V407-M409 VanDerWaalsContact C-N 3.35Å; M409-A411 PolarHBondContact O-N 3.28Å; M409-L412 WeakPolarHBondContact O-CB 3.27Å; M409-L412 PolarHBondContact O-N 2.96Å; M409-D413 PolarHBondContact O-N 3.36Å; M409-N452 WeakPolarHBondContact CE-OD1 3.33Å
410K93Very high90.7Very high115 Ų11567.4 Ų67.450%0.536%0.356SS..Hα-helixtrans-66-37.7176.6-175.956.8-175.5155.20112.6P406 V407 V408 L412 D413 N414P406-K410 PolarHBondContact O-N 3.25Å; V407-K410 PolarHBondContact O-N 3.29Å; V408-K410 VanDerWaalsContact C-N 3.34Å; K410-L412 VanDerWaalsContact C-N 3.34Å; K410-D413 PolarHBondContact O-N 3.06Å; K410-N414 PolarHBondContact O-N 3.41Å; K410-N414 VanDerWaalsContact O-N 3.11Å; K410-N414 PolarHBondContact O-OD1 2.93Å
411A92.9Very high90.8Very high9 Ų964.1 Ų64.17%0.07432%0.322CS..Hα-helixtrans-64.6-38.2173.200000111.9L361 E362 L365 V407 V408 M409 N414 L415L361-A411 HydrophobicContact CD2-CB 3.84Å; L361-A411 HydrophobicContact CG-CB 4.12Å; E362-A411 HydrophobicContact CG-CB 4.2Å; L365-A411 HydrophobicContact CD1-CB 3.86Å; V407-A411 PolarHBondContact O-N 3.3Å; V408-A411 PolarHBondContact O-N 3.21Å; M409-A411 PolarHBondContact O-N 3.28Å; A411-N414 PolarHBondContact O-N 2.97Å; A411-L415 WeakPolarHBondContact O-CG 3.23Å; A411-L415 PolarHBondContact O-N 3.44Å; A411-L415 VanDerWaalsContact O-N 3.13Å
412L92.9Very high90.8Very high8 Ų863.9 Ų63.94%0.04232%0.322CS..Hα-helixtrans-63.3-43.2172.4177.665.9000111.9F383 L386 V408 M409 K410 N414 L415 I416 I421 L456F383-L412 HydrophobicContact CB-CD2 4.42Å; F383-L412 HydrophobicContact CD2-CD2 3.53Å; F383-L412 HydrophobicContact CE2-CD2 4.19Å; F383-L412 HydrophobicContact CG-CD2 4.35Å; L386-L412 HydrophobicContact CD2-CD1 4.28Å; V408-L412 PolarHBondContact O-N 3.18Å; M409-L412 WeakPolarHBondContact O-CB 3.27Å; M409-L412 PolarHBondContact O-N 2.96Å; K410-L412 VanDerWaalsContact C-N 3.34Å; L412-N414 VanDerWaalsContact C-N 3.27Å; L412-N414 PolarHBondContact O-N 3.39Å; L412-L415 WeakPolarHBondContact O-CB 3.41Å; L412-L415 PolarHBondContact O-N 2.81Å; L412-L415 VanDerWaalsContact O-N 3.11Å; L412-I416 HydrophobicContact CD1-CD1 4.46Å; L412-I416 HydrophobicContact CG-CD1 4.09Å; L412-I416 WeakPolarHBondContact O-CG1 3.37Å; L412-I416 PolarHBondContact O-N 3.19Å; L412-I421 HydrophobicContact CD1-CD1 3.66Å; L412-I421 HydrophobicContact CD1-CG2 4.25Å; L412-L456 HydrophobicContact CD1-CD1 4.35Å; L412-L456 HydrophobicContact CD2-CD1 3.66Å; L412-L456 HydrophobicContact CD2-CD2 4.32Å
413D91.6Very high90.7Very high72 Ų7262.7 Ų62.739%0.38532%0.32SS..Hα-helixtrans-58.6-41.8176.9-69.4-26.7000111.1M409 K410 L415 I416 D417M409-D413 PolarHBondContact O-N 3.36Å; K410-D413 PolarHBondContact O-N 3.06Å; D413-L415 VanDerWaalsContact C-N 3.33Å; D413-L415 PolarHBondContact O-N 2.7Å; D413-I416 WeakPolarHBondContact O-CB 3.28Å; D413-I416 PolarHBondContact O-N 2.84Å; D413-I416 VanDerWaalsContact O-N 3.14Å; D413-D417 PolarHBondContact O-N 3.11Å
414N91.9Very high90.3Very high52 Ų5259.2 Ų59.228%0.27831%0.313SS..Hα-helixtrans-60.8-41.7175-64.5-9.8000111.9E362 K410 A411 L412 I416 D417 F418E362-N414 WeakPolarHBondContact OE1-CB 3.45Å; E362-N414 PolarHBondContact OE1-ND2 3.4Å; K410-N414 PolarHBondContact O-N 3.41Å; K410-N414 VanDerWaalsContact O-N 3.11Å; K410-N414 PolarHBondContact O-OD1 2.93Å; A411-N414 PolarHBondContact O-N 2.97Å; L412-N414 VanDerWaalsContact C-N 3.27Å; L412-N414 PolarHBondContact O-N 3.39Å; N414-I416 VanDerWaalsContact C-N 3.25Å; N414-I416 PolarHBondContact O-N 2.83Å; N414-D417 PolarHBondContact O-N 3.4Å; N414-F418 HydrophobicContact CB-CE2 4.4Å; N414-F418 WeakPolarHBondContact O-CD2 3.32Å; N414-F418 PolarHBondContact O-N 3.48Å
415L91.5Very high89.8Confident0 Ų061.9 Ų61.90%032%0.319CS..Hα-helixtrans-64.5-30.8176.5-71175.4000113.1E362 L365 I366 A411 L412 D413 E419 L420 I421E362-L415 HydrophobicContact CB-CD1 4.21Å; E362-L415 HydrophobicContact CB-CD2 3.87Å; E362-L415 HydrophobicContact CB-CG 4.18Å; E362-L415 HydrophobicContact CG-CD1 4.3Å; E362-L415 HydrophobicContact CG-CD2 4.02Å; E362-L415 HydrophobicContact CG-CG 3.97Å; L365-L415 HydrophobicContact CB-CD1 4.15Å; L365-L415 HydrophobicContact CD1-CD1 4.45Å; I366-L415 HydrophobicContact CD1-CD1 4.44Å; I366-L415 HydrophobicContact CD1-CD2 3.8Å; I366-L415 HydrophobicContact CG1-CD1 3.94Å; I366-L415 HydrophobicContact CG1-CD2 4.22Å; A411-L415 WeakPolarHBondContact O-CG 3.23Å; A411-L415 PolarHBondContact O-N 3.44Å; A411-L415 VanDerWaalsContact O-N 3.13Å; L412-L415 WeakPolarHBondContact O-CB 3.41Å; L412-L415 PolarHBondContact O-N 2.81Å; L412-L415 VanDerWaalsContact O-N 3.11Å; D413-L415 VanDerWaalsContact C-N 3.33Å; D413-L415 PolarHBondContact O-N 2.7Å; L415-E419 PolarHBondContact O-N 3.04Å; L415-L420 HydrophobicContact CD2-CD1 4.11Å; L415-L420 PolarHBondContact O-N 2.61Å; L415-I421 HydrophobicContact CB-CB 4.43Å; L415-I421 HydrophobicContact CB-CD1 3.74Å; L415-I421 HydrophobicContact CB-CG1 4.16Å; L415-I421 HydrophobicContact CD1-CD1 3.6Å; L415-I421 HydrophobicContact CG-CD1 4.28Å; L415-I421 PolarHBondContact O-N 2.82Å
416I90.5Very high89.3Confident44 Ų4461.1 Ų61.123%0.22632%0.324CS..Hα-helixtrans-72-42.5173.5-66167.1000110.2L412 D413 N414 F418 E419 I421 L456L412-I416 HydrophobicContact CD1-CD1 4.46Å; L412-I416 HydrophobicContact CG-CD1 4.09Å; L412-I416 WeakPolarHBondContact O-CG1 3.37Å; L412-I416 PolarHBondContact O-N 3.19Å; D413-I416 WeakPolarHBondContact O-CB 3.28Å; D413-I416 PolarHBondContact O-N 2.84Å; D413-I416 VanDerWaalsContact O-N 3.14Å; N414-I416 VanDerWaalsContact C-N 3.25Å; N414-I416 PolarHBondContact O-N 2.83Å; I416-F418 PolarHBondContact O-N 3.26Å; I416-E419 PolarHBondContact O-N 2.96Å; I416-I421 WeakPolarHBondContact CA-O 3.43Å; I416-I421 HydrophobicContact CG1-CB 4.21Å; I416-I421 HydrophobicContact CG1-CG2 4.08Å; I416-L456 HydrophobicContact CD1-CD2 4.27Å
417D88.3Confident88.8Confident123 Ų12356.6 Ų56.666%0.65830%0.295SS*.Hα-helixtrans-62.3-32.3175.5-69.7-22000112D413 N414 E419D413-D417 PolarHBondContact O-N 3.11Å; N414-D417 PolarHBondContact O-N 3.4Å; D417-E419 VanDerWaalsContact C-N 3.26Å; D417-E419 PolarHBondContact O-N 2.86Å
418F84.4Confident88.2Confident133 Ų13354.8 Ų54.858%0.58328%0.284SS*.THydrogen-bonded Turntrans-78.7-0.2172.9-70.6-57.1000114.5N414 I416 L420N414-F418 HydrophobicContact CB-CE2 4.4Å; N414-F418 WeakPolarHBondContact O-CD2 3.32Å; N414-F418 PolarHBondContact O-N 3.48Å; I416-F418 PolarHBondContact O-N 3.26Å; F418-L420 HydrophobicContact CB-CG 4.39Å; F418-L420 PolarHBondContact O-N 2.83Å; F418-L420 VanDerWaalsContact O-N 3.07Å
419E86.4Confident87.6Confident156 Ų15658.8 Ų58.873%0.72931%0.309SS*.THydrogen-bonded Turntrans5814.3-176.3-57.3-173.7154.700115.2L415 I416 D417 I421L415-E419 PolarHBondContact O-N 3.04Å; I416-E419 PolarHBondContact O-N 2.96Å; D417-E419 VanDerWaalsContact C-N 3.26Å; D417-E419 PolarHBondContact O-N 2.86Å; E419-I421 VanDerWaalsContact C-N 3.3Å
420L86.6Confident87Confident12 Ų1257.6 Ų57.66%0.06331%0.307CS..SBendtrans-72.2-30.1171.6-71175.4000111.5A354 L355 I366 L415 F418 C458 Y459 V460A354-L420 HydrophobicContact CB-CD1 4.46Å; A354-L420 HydrophobicContact CB-CD2 4.11Å; L355-L420 HydrophobicContact CD2-CD1 4.33Å; I366-L420 HydrophobicContact CD1-CD1 4.09Å; L415-L420 HydrophobicContact CD2-CD1 4.11Å; L415-L420 PolarHBondContact O-N 2.61Å; F418-L420 HydrophobicContact CB-CG 4.39Å; F418-L420 PolarHBondContact O-N 2.83Å; F418-L420 VanDerWaalsContact O-N 3.07Å; L420-C458 PolarHBondContact O-SG 3.01Å; L420-C458 VanDerWaalsContact O-SG 3.38Å; L420-Y459 PolarHBondContact O-N 3.24Å; L420-V460 HydrophobicContact CD2-CG2 4.34Å
421I89.9Confident86.3Confident1 Ų152.9 Ų52.91%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-123.1136.8175.5-62.1175.7000108.7M369 L412 L415 I416 E419 L456 F457 C458M369-I421 HydrophobicContact CE-CG2 3.98Å; M369-I421 HydrophobicContact SD-CD1 3.6Å; M369-I421 HydrophobicContact SD-CG1 3.91Å; M369-I421 HydrophobicContact SD-CG2 4.03Å; L412-I421 HydrophobicContact CD1-CD1 3.66Å; L412-I421 HydrophobicContact CD1-CG2 4.25Å; L415-I421 HydrophobicContact CB-CB 4.43Å; L415-I421 HydrophobicContact CB-CD1 3.74Å; L415-I421 HydrophobicContact CB-CG1 4.16Å; L415-I421 HydrophobicContact CD1-CD1 3.6Å; L415-I421 HydrophobicContact CG-CD1 4.28Å; L415-I421 PolarHBondContact O-N 2.82Å; I416-I421 WeakPolarHBondContact CA-O 3.43Å; I416-I421 HydrophobicContact CG1-CB 4.21Å; I416-I421 HydrophobicContact CG1-CG2 4.08Å; E419-I421 VanDerWaalsContact C-N 3.3Å; I421-L456 HydrophobicContact CG2-CB 4.39Å; I421-L456 HydrophobicContact CG2-CD2 4.33Å; I421-F457 WeakPolarHBondContact CA-O 3.2Å; I421-C458 HydrophobicContact CG1-CB 4.24Å
422I88Confident85.5Confident45 Ų4555.7 Ų55.723%0.23130%0.304CS..EExtended strand (participates in β ladder)trans-109.4146.7172-67.9-159.7000109.7A426 A427 L456 F457 Y459I422-A426 HydrophobicContact CG2-CB 3.39Å; I422-A427 HydrophobicContact CG2-CB 4.4Å; I422-A427 WeakPolarHBondContact O-CB 3.25Å; I422-L456 CarbonylContact O-C 3.55Å; I422-L456 WeakPolarHBondContact O-CA 3.44Å; I422-F457 PolarHBondContact N-O 3.22Å; I422-F457 PolarHBondContact O-N 3.49Å; I422-Y459 HydrophobicContact CD1-CD2 4.42Å; I422-Y459 HydrophobicContact CD1-CE2 3.38Å; I422-Y459 HydrophobicContact CG1-CD2 4.34Å; I422-Y459 HydrophobicContact CG1-CE2 3.68Å
423S87.8Confident84.1Confident46 Ų4658.8 Ų58.832%0.32234%0.339SS..EExtended strand (participates in β ladder)trans-117.5160.8174.6710000113P455S423-P455 CarbonylContact C-O 2.93Å; S423-P455 VanDerWaalsContact CA-O 3.3Å; S423-P455 WeakPolarHBondContact CA-O 3.37Å
424G84.9Confident82.2Confident23 Ų2360.1 Ų60.124%0.23735%0.345CS..THydrogen-bonded Turntrans73.7-143.6172.100000113.5A426 A427 V428 P455G424-A426 VanDerWaalsContact C-N 3.27Å; G424-A426 PolarHBondContact O-N 3.06Å; G424-A427 WeakPolarHBondContact O-CB 3.33Å; G424-A427 PolarHBondContact O-N 3.44Å; G424-A427 VanDerWaalsContact O-N 3.11Å; G424-V428 WeakPolarHBondContact O-CG2 3.48Å; G424-V428 PolarHBondContact O-N 3.2Å; G424-P455 PolarHBondContact N-O 3.45Å
425K81.4Confident79.8Confident178 Ų17863.3 Ų63.377%0.77437%0.372SS*.Hα-helixtrans-58.5-36.5-171.3-67.5-179-179.4175.20113.3A427 V428 T429K425-A427 VanDerWaalsContact C-N 3.34Å; K425-V428 WeakPolarHBondContact O-CB 3.49Å; K425-V428 PolarHBondContact O-N 3.05Å; K425-T429 PolarHBondContact O-N 3.12Å; K425-T429 PolarHBondContact O-OG1 2.79Å
426A82.1Confident77.4Confident47 Ų4767 Ų6739%0.38839%0.394SS..Hα-helixtrans-68.5-34-179.500000112.1I422 G424 V428 T429 A430I422-A426 HydrophobicContact CG2-CB 3.39Å; G424-A426 VanDerWaalsContact C-N 3.27Å; G424-A426 PolarHBondContact O-N 3.06Å; A426-V428 VanDerWaalsContact C-N 3.29Å; A426-V428 PolarHBondContact O-N 2.83Å; A426-T429 PolarHBondContact O-N 3.35Å; A426-A430 WeakPolarHBondContact O-CB 3.12Å; A426-A430 PolarHBondContact O-N 3.44Å
427A81.7Confident75Confident0 Ų070 Ų700%043%0.426CS..Hα-helixtrans-64.4-34.5174.300000112.9I422 G424 K425 S431 P455 F457I422-A427 HydrophobicContact CG2-CB 4.4Å; I422-A427 WeakPolarHBondContact O-CB 3.25Å; G424-A427 WeakPolarHBondContact O-CB 3.33Å; G424-A427 PolarHBondContact O-N 3.44Å; G424-A427 VanDerWaalsContact O-N 3.11Å; K425-A427 VanDerWaalsContact C-N 3.34Å; A427-S431 WeakPolarHBondContact O-CB 3.33Å; A427-S431 PolarHBondContact O-N 2.81Å; A427-S431 PolarHBondContact O-OG 3.37Å; A427-P455 HydrophobicContact CB-CB 4.44Å; A427-F457 HydrophobicContact CB-CB 3.67Å
428V80.6Confident72.7Confident34 Ų3467.6 Ų67.621%0.20643%0.43CS..Hα-helixtrans-68.4-47177.8173.70000111.1G424 K425 A426 A430 S431 T432 W445 P455G424-V428 WeakPolarHBondContact O-CG2 3.48Å; G424-V428 PolarHBondContact O-N 3.2Å; K425-V428 WeakPolarHBondContact O-CB 3.49Å; K425-V428 PolarHBondContact O-N 3.05Å; A426-V428 VanDerWaalsContact C-N 3.29Å; A426-V428 PolarHBondContact O-N 2.83Å; V428-A430 VanDerWaalsContact C-N 3.31Å; V428-A430 PolarHBondContact O-N 3.17Å; V428-S431 WeakPolarHBondContact CA-OG 3.34Å; V428-S431 PolarHBondContact O-N 3.49Å; V428-S431 PolarHBondContact O-OG 2.86Å; V428-T432 PolarHBondContact O-N 3.28Å; V428-T432 PolarHBondContact O-OG1 2.99Å; V428-W445 HydrophobicContact CB-CE3 3.98Å; V428-W445 HydrophobicContact CB-CZ3 3.88Å; V428-W445 HydrophobicContact CG1-CE3 3.69Å; V428-W445 HydrophobicContact CG1-CZ3 3.43Å; V428-W445 VanDerWaalsContact CG1-CZ3 3.43Å; V428-W445 HydrophobicContact CG2-CD2 4.25Å; V428-W445 HydrophobicContact CG2-CE3 3.14Å; V428-W445 HydrophobicContact CG2-CZ3 3.4Å; V428-W445 VanDerWaalsContact CG2-CZ3 3.4Å; V428-P455 HydrophobicContact CG2-CB 3.9Å; V428-P455 HydrophobicContact CG2-CG 3.62Å
429T81.1Confident70.3Confident85 Ų8565.1 Ų65.152%0.52143%0.429SS..Hα-helixtrans-61.9-42.6176.1-51.70000110.8K425 A426 G433K425-T429 PolarHBondContact O-N 3.12Å; K425-T429 PolarHBondContact O-OG1 2.79Å; A426-T429 PolarHBondContact O-N 3.35Å; T429-G433 PolarHBondContact O-N 3.04Å
430A80Confident68Low27 Ų2765.1 Ų65.122%0.22343%0.434CS..Hα-helixtrans-66.2-43179.400000112.7A426 V428 F457 Y459A426-A430 WeakPolarHBondContact O-CB 3.12Å; A426-A430 PolarHBondContact O-N 3.44Å; V428-A430 VanDerWaalsContact C-N 3.31Å; V428-A430 PolarHBondContact O-N 3.17Å; A430-F457 HydrophobicContact CB-CB 4.27Å; A430-F457 HydrophobicContact CB-CD1 3.43Å; A430-F457 VanDerWaalsContact CB-CD1 3.43Å; A430-F457 HydrophobicContact CB-CD2 4.09Å; A430-F457 HydrophobicContact CB-CE1 3.67Å; A430-F457 HydrophobicContact CB-CE2 4.3Å; A430-F457 HydrophobicContact CB-CG 3.65Å; A430-F457 HydrophobicContact CB-CZ 4.11Å; A430-Y459 HydrophobicContact CB-CE1 4.31Å
431S77.6Confident65.8Low15 Ų1570.1 Ų70.111%0.10546%0.461CS..Hα-helixtrans-67.8-34.9-179.248.80000114.5G378 A427 V428G378-S431 WeakPolarHBondContact CA-O 3.21Å; A427-S431 WeakPolarHBondContact O-CB 3.33Å; A427-S431 PolarHBondContact O-N 2.81Å; A427-S431 PolarHBondContact O-OG 3.37Å; V428-S431 WeakPolarHBondContact CA-OG 3.34Å; V428-S431 PolarHBondContact O-N 3.49Å; V428-S431 PolarHBondContact O-OG 2.86Å
432T76.4Confident63.4Low68 Ų6879.9 Ų79.942%0.41750%0.503SS..Hα-helixtrans-85.9-9.8-176.652.60000113.8V428 L434V428-T432 PolarHBondContact O-N 3.28Å; V428-T432 PolarHBondContact O-OG1 2.99Å; T432-L434 PolarHBondContact O-N 3.49Å
433G63.8Low61Low74 Ų7481.7 Ų81.776%0.76353%0.525SS*.  trans61.84.8-179.800000115.1T429T429-G433 PolarHBondContact O-N 3.04Å
434L50.5Low59Low99 Ų9985.2 Ų85.252%0.51854%0.539SS..  trans-112.3120.8-165.4-16564.9000112.3T432 T436T432-L434 PolarHBondContact O-N 3.49Å; L434-T436 HydrophobicContact CD1-CG2 4.33Å; L434-T436 HydrophobicContact CD2-CG2 3.24Å; L434-T436 HydrophobicContact CG-CG2 3.54Å; L434-T436 PolarHBondContact O-N 3.42Å
435S43.4Very low57.3Low119 Ų11989.8 Ų89.883%0.83255%0.55SS*.  trans-76.258.7166.752.20000111.6A437S435-A437 PolarHBondContact O-N 2.95Å
436T40.1Very low55.5Low77 Ų7784.1 Ų84.147%0.47253%0.532SS..  trans-8696.1-179.929.60000113.7L434 G438L434-T436 HydrophobicContact CD1-CG2 4.33Å; L434-T436 HydrophobicContact CD2-CG2 3.24Å; L434-T436 HydrophobicContact CG-CG2 3.54Å; L434-T436 PolarHBondContact O-N 3.42Å; T436-G438 PolarHBondContact O-N 2.95Å
437A39.9Very low54Low109 Ų10987.6 Ų87.690%0.90155%0.553SS**SBendtrans-61.4109.4130.600000107.8S435S435-A437 PolarHBondContact O-N 2.95Å
438G39.5Very low52.4Low72 Ų7292.2 Ų92.274%0.74259%0.586SS**SBendtrans106.164.1170.800000116.3T436T436-G438 PolarHBondContact O-N 2.95Å
439S35.2Very low51.3Low81 Ų8191.9 Ų91.957%0.56659%0.587SS**  trans-158.6137144-170.60000109.5N441S439-N441 PolarHBondContact O-N 3.37Å
440N38.3Very low50.8Low155 Ų15593.6 Ų93.683%0.82959%0.592SS**SBendtrans-68.922.1-167.9-91-16.5000115.8K442N440-K442 PolarHBondContact O-N 3.4Å
441N38.8Very low50.2Low117 Ų11796.1 Ų96.163%0.62661%0.606SS**G310 helixtrans-77.87.4176.2-76.7-4.7000114.3S439 A443 I444S439-N441 PolarHBondContact O-N 3.37Å; N441-A443 PolarHBondContact O-N 3.08Å; N441-I444 PolarHBondContact O-N 3.32Å
442K40.3Very low50.1Low206 Ų20697.2 Ų97.290%0.89661%0.611SS**G310 helixtrans-54.1-21.1168.7-79.3-177.1177175.60113.4N440N440-K442 PolarHBondContact O-N 3.4Å
443A38.4Very low50.2Low84 Ų8499.8 Ų99.869%0.69461%0.614SS**G310 helixtrans-91.9-13.9-171.200000116N441N441-A443 PolarHBondContact O-N 3.08Å
444I45.3Very low51.2Low119 Ų119101.9 Ų101.961%0.6160%0.599SS**THydrogen-bonded Turntrans-88.4-28-168.6-62.5175.3000113.4N441N441-I444 PolarHBondContact O-N 3.32Å
445W48.9Very low52.9Low120 Ų12097.8 Ų97.846%0.45558%0.578SS.*SBendtrans-112.979.2175.1-64.2-34.9000111.4P380 V428P380-W445 HydrophobicContact CG-CE3 4.27Å; P380-W445 HydrophobicContact CG-CH2 3.05Å; P380-W445 HydrophobicContact CG-CZ2 3.55Å; P380-W445 HydrophobicContact CG-CZ3 3.44Å; P380-W445 VanDerWaalsContact CG-CZ3 3.44Å; V428-W445 HydrophobicContact CB-CE3 3.98Å; V428-W445 HydrophobicContact CB-CZ3 3.88Å; V428-W445 HydrophobicContact CG1-CE3 3.69Å; V428-W445 HydrophobicContact CG1-CZ3 3.43Å; V428-W445 VanDerWaalsContact CG1-CZ3 3.43Å; V428-W445 HydrophobicContact CG2-CD2 4.25Å; V428-W445 HydrophobicContact CG2-CE3 3.14Å; V428-W445 HydrophobicContact CG2-CZ3 3.4Å; V428-W445 VanDerWaalsContact CG2-CZ3 3.4Å
446S44.3Very low55.1Low58 Ų5892.4 Ų92.441%0.40654%0.54SS..  trans-54.8141.4167.5630000110.7S448 A449S446-S448 WeakPolarHBondContact CB-OG 3.36Å; S446-S448 PolarHBondContact O-N 2.86Å; S446-S448 PolarHBondContact OG-OG 2.83Å; S446-A449 PolarHBondContact O-N 3.27Å; S446-A449 VanDerWaalsContact O-N 3.09Å
447S49.6Very low57.4Low120 Ų12090.6 Ų90.684%0.83953%0.526SS*.THydrogen-bonded Turntrans-57.6-7.3164.746.50000113.2
448S47.5Very low59.7Low97 Ų9785.6 Ų85.668%0.67848%0.484SS*.THydrogen-bonded Turntrans-88.75.1174.551.60000114.8S446 L450S446-S448 WeakPolarHBondContact CB-OG 3.36Å; S446-S448 PolarHBondContact O-N 2.86Å; S446-S448 PolarHBondContact OG-OG 2.83Å; S448-L450 PolarHBondContact O-N 3.01Å
449A57.5Low61.8Low27 Ų2786.8 Ų86.822%0.22347%0.467CS..SBendtrans-58.7130.5166.800000109.4S446S446-A449 PolarHBondContact O-N 3.27Å; S446-A449 VanDerWaalsContact O-N 3.09Å
450L71Confident64.2Low121 Ų12183.3 Ų83.363%0.63444%0.442SS*.  trans-47.1146.1170.3-73.3164.3000109.2S448 N452 Y453S448-L450 PolarHBondContact O-N 3.01Å; L450-N452 PolarHBondContact O-N 3.08Å; L450-Y453 HydrophobicContact CB-CD2 4.01Å; L450-Y453 HydrophobicContact CD1-CD2 4.39Å; L450-Y453 HydrophobicContact CD1-CE2 4.47Å; L450-Y453 PolarHBondContact O-N 3.18Å
451P68.3Low66.4Low81 Ų8180.4 Ų80.453%0.52643%0.426SS..G310 helixtrans-46.4-38.9-175.3-29.534.3000114Y453 R454P451-Y453 VanDerWaalsContact C-N 3.3Å; P451-Y453 PolarHBondContact O-N 2.75Å; P451-R454 PolarHBondContact O-N 2.93Å
452N75.5Confident68.7Low38 Ų3877 Ų7720%0.20341%0.408CS..G310 helixtrans-72.7-15.9-178.1-53.43.2000114.9F383 E384 M409 L450F383-N452 WeakPolarHBondContact CB-O 3.5Å; F383-N452 HydrophobicContact CD1-CB 4.1Å; F383-N452 PolarHBondContact N-O 3.24Å; E384-N452 HydrophobicContact CG-CB 4.08Å; E384-N452 VanDerWaalsContact OE1-CB 3.26Å; E384-N452 WeakPolarHBondContact OE1-CB 3.25Å; E384-N452 PolarHBondContact OE1-ND2 3.39Å; M409-N452 WeakPolarHBondContact CE-OD1 3.33Å; L450-N452 PolarHBondContact O-N 3.08Å
453Y78.4Confident70.9Confident121 Ų12173.5 Ų73.548%0.47540%0.399SS..G310 helixtrans-109.69.5-177.6-68.1-87.4000112.5E384 L450 P451E384-Y453 HydrophobicContact CG-CE1 4.08Å; E384-Y453 HydrophobicContact CG-CE2 4.19Å; L450-Y453 HydrophobicContact CB-CD2 4.01Å; L450-Y453 HydrophobicContact CD1-CD2 4.39Å; L450-Y453 HydrophobicContact CD1-CE2 4.47Å; L450-Y453 PolarHBondContact O-N 3.18Å; P451-Y453 VanDerWaalsContact C-N 3.3Å; P451-Y453 PolarHBondContact O-N 2.75Å
454R84.1Confident73.2Confident119 Ų11970.7 Ų70.745%0.44937%0.373SS..SBendtrans-65.1138.9171.7-69.9-178.7178.4170.2-0.1109.7P451P451-R454 PolarHBondContact O-N 2.93Å
455P86Confident75.2Confident12 Ų1265 Ų658%0.07834%0.344CS..  trans-67.6139.6175.227.8-33.4000110.2P380 S423 G424 A427 V428P380-P455 HydrophobicContact CB-CB 3.5Å; P380-P455 VanDerWaalsContact CB-CB 3.5Å; P380-P455 HydrophobicContact CG-CB 3.66Å; S423-P455 CarbonylContact C-O 2.93Å; S423-P455 VanDerWaalsContact CA-O 3.3Å; S423-P455 WeakPolarHBondContact CA-O 3.37Å; G424-P455 PolarHBondContact N-O 3.45Å; A427-P455 HydrophobicContact CB-CB 4.44Å; V428-P455 HydrophobicContact CG2-CB 3.9Å; V428-P455 HydrophobicContact CG2-CG 3.62Å
456L89.3Confident77Confident7 Ų760.6 Ų60.64%0.03733%0.331CS..EExtended strand (participates in β ladder)trans-125.7144.1-179.2-57.7170.6000109.5M369 V381 F383 L386 L412 I416 I421 I422M369-L456 HydrophobicContact CE-CB 3.43Å; M369-L456 VanDerWaalsContact CE-CB 3.43Å; V381-L456 PolarHBondContact N-O 3.3Å; V381-L456 WeakPolarHBondContact O-CA 3.36Å; V381-L456 WeakPolarHBondContact O-CB 3.34Å; V381-L456 PolarHBondContact O-N 2.83Å; F383-L456 HydrophobicContact CB-CD1 4.31Å; L386-L456 HydrophobicContact CD2-CD1 4.47Å; L412-L456 HydrophobicContact CD1-CD1 4.35Å; L412-L456 HydrophobicContact CD2-CD1 3.66Å; L412-L456 HydrophobicContact CD2-CD2 4.32Å; I416-L456 HydrophobicContact CD1-CD2 4.27Å; I421-L456 HydrophobicContact CG2-CB 4.39Å; I421-L456 HydrophobicContact CG2-CD2 4.33Å; I422-L456 CarbonylContact O-C 3.55Å; I422-L456 WeakPolarHBondContact O-CA 3.44Å
457F89.5Confident79Confident39 Ų3959.9 Ų59.917%0.17133%0.328CS..EExtended strand (participates in β ladder)trans-141.1133.3173.1-173.9-91.3000110.8Q373 I421 I422 A427 A430 Y459Q373-F457 VanDerWaalsContact NE2-CE2 3.26Å; I421-F457 WeakPolarHBondContact CA-O 3.2Å; I422-F457 PolarHBondContact N-O 3.22Å; I422-F457 PolarHBondContact O-N 3.49Å; A427-F457 HydrophobicContact CB-CB 3.67Å; A430-F457 HydrophobicContact CB-CB 4.27Å; A430-F457 HydrophobicContact CB-CD1 3.43Å; A430-F457 VanDerWaalsContact CB-CD1 3.43Å; A430-F457 HydrophobicContact CB-CD2 4.09Å; A430-F457 HydrophobicContact CB-CE1 3.67Å; A430-F457 HydrophobicContact CB-CE2 4.3Å; A430-F457 HydrophobicContact CB-CG 3.65Å; A430-F457 HydrophobicContact CB-CZ 4.11Å; F457-Y459 HydrophobicContact CD1-CD1 4.18Å; F457-Y459 HydrophobicContact CD1-CE1 4.14Å; F457-Y459 HydrophobicContact CD1-CG 4.46Å; F457-Y459 AromaticContact CE1-CD1 3.69Å; F457-Y459 HydrophobicContact CE1-CD1 3.69Å; F457-Y459 AromaticContact CE1-CE1 3.82Å; F457-Y459 HydrophobicContact CE1-CE1 3.82Å; F457-Y459 HydrophobicContact CE1-CG 4.28Å
458C88.6Confident80.7Confident4 Ų454.2 Ų54.23%0.02729%0.288CS..EExtended strand (participates in β ladder)trans-103.1137.3174-1690000110M369 Q373 L420 I421 V460M369-C458 HydrophobicContact CE-CB 4.02Å; M369-C458 VanDerWaalsContact CE-N 3.29Å; M369-C458 HydrophobicContact CG-CB 3.98Å; M369-C458 HydrophobicContact SD-CB 3.76Å; Q373-C458 PolarHBondContact NE2-O 3.49Å; Q373-C458 VanDerWaalsContact NE2-O 3.11Å; L420-C458 PolarHBondContact O-SG 3.01Å; L420-C458 VanDerWaalsContact O-SG 3.38Å; I421-C458 HydrophobicContact CG1-CB 4.24Å; C458-V460 VanDerWaalsContact C-N 3.33Å; C458-V460 VanDerWaalsContact SG-CG2 3.52Å
459Y83.4Confident82.6Confident97 Ų9749.6 Ų49.638%0.3826%0.256SS..  trans-90.97.9176.9-74.6-68000114.1K351 L420 I422 A430 F457K351-Y459 PolarHBondContact NZ-O 3.29Å; L420-Y459 PolarHBondContact O-N 3.24Å; I422-Y459 HydrophobicContact CD1-CD2 4.42Å; I422-Y459 HydrophobicContact CD1-CE2 3.38Å; I422-Y459 HydrophobicContact CG1-CD2 4.34Å; I422-Y459 HydrophobicContact CG1-CE2 3.68Å; A430-Y459 HydrophobicContact CB-CE1 4.31Å; F457-Y459 HydrophobicContact CD1-CD1 4.18Å; F457-Y459 HydrophobicContact CD1-CE1 4.14Å; F457-Y459 HydrophobicContact CD1-CG 4.46Å; F457-Y459 AromaticContact CE1-CD1 3.69Å; F457-Y459 HydrophobicContact CE1-CD1 3.69Å; F457-Y459 AromaticContact CE1-CE1 3.82Å; F457-Y459 HydrophobicContact CE1-CE1 3.82Å; F457-Y459 HydrophobicContact CE1-CG 4.28Å
460V85.3Confident84Confident7 Ų752 Ų524%0.04227%0.265CS..  trans-87.7120.8-178.9179.50000108.4L355 I366 V370 L420 C458 L465L355-V460 HydrophobicContact CD1-CG1 3.8Å; L355-V460 HydrophobicContact CD1-CG2 4.31Å; L355-V460 HydrophobicContact CD2-CG1 4.4Å; L355-V460 HydrophobicContact CD2-CG2 3.98Å; L355-V460 HydrophobicContact CG-CG2 4.49Å; I366-V460 HydrophobicContact CG2-CB 4.21Å; I366-V460 HydrophobicContact CG2-CG1 4.24Å; I366-V460 HydrophobicContact CG2-CG2 4.24Å; V370-V460 HydrophobicContact CG2-CB 4.3Å; V370-V460 HydrophobicContact CG2-CG1 4.48Å; V370-V460 WeakPolarHBondContact CG2-O 3.32Å; L420-V460 HydrophobicContact CD2-CG2 4.34Å; C458-V460 VanDerWaalsContact C-N 3.33Å; C458-V460 VanDerWaalsContact SG-CG2 3.52Å; V460-L465 HydrophobicContact CG1-CB 3.87Å; V460-L465 HydrophobicContact CG1-CD1 4.47Å
461D85.1Confident84.5Confident94 Ų9450.3 Ų50.350%0.50326%0.26SS..  trans-79152.5174.9-54.2-53.3000110.6D463 T464 L465D461-D463 VanDerWaalsContact C-N 3.3Å; D461-D463 PolarHBondContact O-N 3.23Å; D461-T464 PolarHBondContact O-N 3.36Å; D461-T464 VanDerWaalsContact O-N 3.14Å; D461-L465 PolarHBondContact O-N 3.15Å
462N87.1Confident85.3Confident47 Ų4748 Ų4825%0.25124%0.241SC..Hα-helixtrans-56.7-42.9-179.8-161.3-59.7000111.9V370 D374 T464 L465 T466V370-N462 HydrophobicContact CG1-CB 4.11Å; D374-N462 PolarHBondContact OD2-ND2 2.79Å; N462-T464 PolarHBondContact O-N 2.91Å; N462-L465 PolarHBondContact O-N 3.32Å; N462-T466 WeakPolarHBondContact O-CG2 3.35Å; N462-T466 PolarHBondContact O-N 3.5Å; N462-T466 PolarHBondContact O-OG1 3.42Å
463D86.5Confident85.5Confident131 Ų13150.5 Ų50.570%0.70126%0.259SS*.Hα-helixtrans-64.5-36.4178.4-61.9-30.5000113.1D461 T466 A467D461-D463 VanDerWaalsContact C-N 3.3Å; D461-D463 PolarHBondContact O-N 3.23Å; D463-T466 WeakPolarHBondContact CA-OG1 3.25Å; D463-T466 PolarHBondContact O-OG1 3.37Å; D463-A467 WeakPolarHBondContact O-CB 3.46Å; D463-A467 PolarHBondContact O-N 3.04Å
464T85.5Confident85.6Confident25 Ų2552.3 Ų52.315%0.15328%0.277CS..Hα-helixtrans-70.8-38.7177.1-550000110.5L352 L355 D461 N462 C468L352-T464 HydrophobicContact CB-CG2 4.47Å; L355-T464 HydrophobicContact CD1-CG2 4.13Å; D461-T464 PolarHBondContact O-N 3.36Å; D461-T464 VanDerWaalsContact O-N 3.14Å; N462-T464 PolarHBondContact O-N 2.91Å; T464-C468 WeakPolarHBondContact O-CB 3.45Å; T464-C468 PolarHBondContact O-N 2.95Å
465L87.4Confident85.6Confident0 Ų047.2 Ų47.20%026%0.26CS..Hα-helixtrans-69.2-43.7179.1-175.560.7000112.1I366 V370 V460 D461 N462 C468 L469 I483I366-L465 HydrophobicContact CG2-CD1 3.99Å; I366-L465 HydrophobicContact CG2-CD2 4.19Å; V370-L465 HydrophobicContact CB-CD2 4.2Å; V370-L465 HydrophobicContact CG2-CD2 4.02Å; V460-L465 HydrophobicContact CG1-CB 3.87Å; V460-L465 HydrophobicContact CG1-CD1 4.47Å; D461-L465 PolarHBondContact O-N 3.15Å; N462-L465 PolarHBondContact O-N 3.32Å; L465-C468 PolarHBondContact O-N 2.83Å; L465-L469 HydrophobicContact CD1-CD1 4.09Å; L465-L469 HydrophobicContact CD1-CG 4.12Å; L465-L469 HydrophobicContact CG-CD1 3.95Å; L465-L469 HydrophobicContact CG-CG 4.36Å; L465-L469 WeakPolarHBondContact O-CG 3.49Å; L465-L469 PolarHBondContact O-N 2.91Å; L465-I483 HydrophobicContact CD2-CD1 3.61Å; L465-I483 HydrophobicContact CD2-CG1 4.44Å; L465-I483 HydrophobicContact CG-CD1 4.13Å; L465-I483 HydrophobicContact CG-CG1 4.48Å
466T88.2Confident85.7Confident28 Ų2847.3 Ų47.317%0.17226%0.261CS..Hα-helixtrans-58.9-51.8176.448.80000110.9N462 D463 C468 L469 D470 I483N462-T466 WeakPolarHBondContact O-CG2 3.35Å; N462-T466 PolarHBondContact O-N 3.5Å; N462-T466 PolarHBondContact O-OG1 3.42Å; D463-T466 WeakPolarHBondContact CA-OG1 3.25Å; D463-T466 PolarHBondContact O-OG1 3.37Å; T466-C468 VanDerWaalsContact C-N 3.25Å; T466-C468 PolarHBondContact O-N 3.16Å; T466-L469 PolarHBondContact O-N 3.18Å; T466-L469 VanDerWaalsContact O-N 3.16Å; T466-D470 PolarHBondContact O-N 2.88Å; T466-I483 HydrophobicContact CG2-CB 4.47Å; T466-I483 HydrophobicContact CG2-CD1 4.45Å; T466-I483 HydrophobicContact CG2-CG1 3.45Å; T466-I483 VanDerWaalsContact CG2-CG1 3.45Å; T466-I483 HydrophobicContact CG2-CG2 4.24Å
467A85.3Confident85.5Confident43 Ų4352.4 Ų52.436%0.35529%0.292SS..Hα-helixtrans-58.1-37.2176.700000112.8D463 T471D463-A467 WeakPolarHBondContact O-CB 3.46Å; D463-A467 PolarHBondContact O-N 3.04Å; A467-T471 WeakPolarHBondContact O-CG2 3Å; A467-T471 PolarHBondContact O-N 3.01Å; A467-T471 PolarHBondContact O-OG1 2.75Å
468C85.6Confident85.5Confident0 Ų054.1 Ų54.10%030%0.3CS..Hα-helixtrans-66.8-49.6175.4-173.90000111.8L355 T464 L465 T466 D470 T471 Y472L355-C468 HydrophobicContact CB-CB 4.3Å; L355-C468 WeakPolarHBondContact CB-SG 3.43Å; L355-C468 HydrophobicContact CD1-CB 4.23Å; T464-C468 WeakPolarHBondContact O-CB 3.45Å; T464-C468 PolarHBondContact O-N 2.95Å; L465-C468 PolarHBondContact O-N 2.83Å; T466-C468 VanDerWaalsContact C-N 3.25Å; T466-C468 PolarHBondContact O-N 3.16Å; C468-D470 VanDerWaalsContact C-N 3.31Å; C468-D470 PolarHBondContact O-N 3.15Å; C468-T471 CarbonylContact O-C 3.59Å; C468-T471 PolarHBondContact O-N 2.93Å; C468-T471 PolarHBondContact O-OG1 2.86Å; C468-Y472 WeakPolarHBondContact O-CB 3.24Å; C468-Y472 PolarHBondContact O-N 2.61Å
469L86.9Confident85.5Confident0 Ų054 Ų540%030%0.299CS..Hα-helixtrans-65.6-33.6-176.5-69174.6000112.6L363 L465 T466 T471 Y472 L479 R480 I483L363-L469 HydrophobicContact CB-CD2 4.36Å; L363-L469 HydrophobicContact CD1-CD2 4.11Å; L363-L469 HydrophobicContact CD2-CD2 4.32Å; L465-L469 HydrophobicContact CD1-CD1 4.09Å; L465-L469 HydrophobicContact CD1-CG 4.12Å; L465-L469 HydrophobicContact CG-CD1 3.95Å; L465-L469 HydrophobicContact CG-CG 4.36Å; L465-L469 WeakPolarHBondContact O-CG 3.49Å; L465-L469 PolarHBondContact O-N 2.91Å; T466-L469 PolarHBondContact O-N 3.18Å; T466-L469 VanDerWaalsContact O-N 3.16Å; L469-T471 VanDerWaalsContact C-N 3.31Å; L469-T471 PolarHBondContact O-N 3.03Å; L469-Y472 PolarHBondContact O-N 3.1Å; L469-L479 HydrophobicContact CD1-CG 4.24Å; L469-L479 HydrophobicContact CD2-CD2 3.71Å; L469-L479 HydrophobicContact CD2-CG 4.06Å; L469-R480 PolarHBondContact O-NE 3.41Å; L469-R480 PolarHBondContact O-NH2 3.43Å; L469-R480 VanDerWaalsContact O-NH2 3.11Å; L469-I483 HydrophobicContact CD1-CB 3.83Å; L469-I483 HydrophobicContact CD1-CG1 4.23Å; L469-I483 HydrophobicContact CD1-CG2 3.69Å
470D86.3Confident85.6Confident77 Ų7753.5 Ų53.541%0.41230%0.296SS..Hα-helixtrans-66.7-33.7175.3-72.1-22.7000112.7T466 C468 R480 H484T466-D470 PolarHBondContact O-N 2.88Å; C468-D470 VanDerWaalsContact C-N 3.31Å; C468-D470 PolarHBondContact O-N 3.15Å; D470-R480 PolarHBondContact O-NH2 3.18Å; D470-H484 IonicContact OD1-CE1 3.28Å; D470-H484 PolarHBondContact OD1-CE1 2.81Å; D470-H484 VanDerWaalsContact OD1-CE1 3.28Å; D470-H484 IonicContact OD2-CE1 3.81Å; D470-H484 IonicContact OD2-NE2 3.86Å
471T82.8Confident85.8Confident86 Ų8660.3 Ų60.353%0.52832%0.322SS..Hα-helixtrans-93.2-12178.658.50000113.9A467 C468 L469A467-T471 WeakPolarHBondContact O-CG2 3Å; A467-T471 PolarHBondContact O-N 3.01Å; A467-T471 PolarHBondContact O-OG1 2.75Å; C468-T471 CarbonylContact O-C 3.59Å; C468-T471 PolarHBondContact O-N 2.93Å; C468-T471 PolarHBondContact O-OG1 2.86Å; L469-T471 VanDerWaalsContact C-N 3.31Å; L469-T471 PolarHBondContact O-N 3.03Å
472Y84.2Confident85.9Confident34 Ų3456.1 Ų56.113%0.13330%0.3CS..SBendtrans-68.5126.4-175.6-168-86.1000111.8K356 C358 L363 C468 L469 N474 C475 R480K356-Y472 WeakPolarHBondContact O-CE2 3.26Å; C358-Y472 PolarHBondContact O-OH 2.99Å; L363-Y472 HydrophobicContact CD1-CD1 4.16Å; L363-Y472 HydrophobicContact CD1-CD2 3.85Å; L363-Y472 HydrophobicContact CD1-CE1 4.05Å; L363-Y472 HydrophobicContact CD1-CE2 3.72Å; L363-Y472 HydrophobicContact CD1-CG 4.08Å; C468-Y472 WeakPolarHBondContact O-CB 3.24Å; C468-Y472 PolarHBondContact O-N 2.61Å; L469-Y472 PolarHBondContact O-N 3.1Å; Y472-N474 PolarHBondContact O-N 3.44Å; Y472-C475 HydrophobicContact CD1-CB 4.05Å; Y472-C475 PolarHBondContact O-N 3.06Å; Y472-R480 PolarHBondContact O-NH2 2.96Å
473P79.5Confident85.8Confident89 Ų8954.3 Ų54.358%0.57829%0.29SS*.THydrogen-bonded Turntrans-67.9132.1-179.628.2-33.7000110.6C475P473-C475 PolarHBondContact O-N 2.93Å
474N82.1Confident85.8Confident160 Ų16053 Ų5386%0.85628%0.279SS*.THydrogen-bonded Turntrans58.430.1-179.3-53-37.5000114.5Y472Y472-N474 PolarHBondContact O-N 3.44Å
475C83.3Confident85.6Confident12 Ų1252.5 Ų52.58%0.08128%0.277CS..  trans-60129.8172-169.10000110.2Y472 P473 V477 R480Y472-C475 HydrophobicContact CD1-CB 4.05Å; Y472-C475 PolarHBondContact O-N 3.06Å; P473-C475 PolarHBondContact O-N 2.93Å; C475-V477 PolarHBondContact O-N 2.75Å; C475-R480 HydrophobicContact CB-CG 4.22Å
476P87.2Confident84.5Confident14 Ų1463.3 Ų63.39%0.09132%0.318CS..  trans-55132.8173.4-23.832.7000110.9V360 F364 E478 L479 R480V360-P476 HydrophobicContact CG1-CG 3.49Å; V360-P476 VanDerWaalsContact CG1-CG 3.49Å; F364-P476 HydrophobicContact CE2-CG 4.2Å; F364-P476 HydrophobicContact CZ-CB 4.28Å; F364-P476 HydrophobicContact CZ-CG 4.27Å; P476-E478 WeakPolarHBondContact CB-OE2 3.38Å; P476-E478 PolarHBondContact O-N 3.16Å; P476-L479 HydrophobicContact CB-CB 4.18Å; P476-L479 WeakPolarHBondContact O-CB 3.39Å; P476-L479 PolarHBondContact O-N 3.1Å; P476-R480 PolarHBondContact O-N 3.27Å
477V86.8Confident82.8Confident114 Ų11466.7 Ų66.769%0.69134%0.339SS*.Hα-helixtrans-59.4-34.4-178.6-179.10000110.4C475 L479 R480 Y481C475-V477 PolarHBondContact O-N 2.75Å; V477-L479 VanDerWaalsContact C-N 3.34Å; V477-L479 PolarHBondContact O-N 3.17Å; V477-R480 PolarHBondContact O-N 3.1Å; V477-Y481 WeakPolarHBondContact O-CB 3.06Å; V477-Y481 PolarHBondContact O-N 3.47Å
478E88.4Confident81Confident75 Ų7571.7 Ų71.735%0.3535%0.352SS..Hα-helixtrans-64.3-38.3177.7-53.682.8178.700111.6F393 C398 P476 Y481 W482F393-E478 HydrophobicContact CE1-CB 4.39Å; F393-E478 HydrophobicContact CZ-CB 4.27Å; F393-E478 WeakPolarHBondContact CZ-O 3.35Å; C398-E478 HydrophobicContact CB-CB 4.19Å; C398-E478 HydrophobicContact CB-CG 4.05Å; P476-E478 WeakPolarHBondContact CB-OE2 3.38Å; P476-E478 PolarHBondContact O-N 3.16Å; E478-Y481 PolarHBondContact O-N 2.72Å; E478-W482 WeakPolarHBondContact O-CB 3.19Å; E478-W482 PolarHBondContact O-N 3.03Å
479L88.1Confident80.8Confident0 Ų075.3 Ų75.30%037%0.37CS..Hα-helixtrans-68.5-42.9177.1-179.558.6000111.4L363 F364 T367 L469 P476 V477 Y481 W482 I483L363-L479 HydrophobicContact CB-CD2 3.83Å; F364-L479 HydrophobicContact CD1-CB 4.49Å; F364-L479 HydrophobicContact CD1-CD1 3.61Å; F364-L479 HydrophobicContact CD1-CG 4.46Å; F364-L479 HydrophobicContact CE1-CB 3.8Å; F364-L479 HydrophobicContact CE1-CD1 3.76Å; F364-L479 HydrophobicContact CE1-CG 4.24Å; F364-L479 HydrophobicContact CG-CD1 4.22Å; F364-L479 HydrophobicContact CZ-CB 3.91Å; T367-L479 HydrophobicContact CG2-CD1 4.04Å; T367-L479 WeakPolarHBondContact OG1-CD1 3.48Å; L469-L479 HydrophobicContact CD1-CG 4.24Å; L469-L479 HydrophobicContact CD2-CD2 3.71Å; L469-L479 HydrophobicContact CD2-CG 4.06Å; P476-L479 HydrophobicContact CB-CB 4.18Å; P476-L479 WeakPolarHBondContact O-CB 3.39Å; P476-L479 PolarHBondContact O-N 3.1Å; V477-L479 VanDerWaalsContact C-N 3.34Å; V477-L479 PolarHBondContact O-N 3.17Å; L479-Y481 VanDerWaalsContact C-N 3.33Å; L479-Y481 PolarHBondContact O-N 2.9Å; L479-W482 HydrophobicContact CD1-CE3 4.07Å; L479-W482 WeakPolarHBondContact O-CB 3.43Å; L479-W482 PolarHBondContact O-N 2.99Å; L479-W482 VanDerWaalsContact O-N 3.13Å; L479-I483 PolarHBondContact O-N 3.5Å; L479-I483 VanDerWaalsContact O-N 3.1Å
480R86.8Confident80.5Confident87 Ų8779.2 Ų79.233%0.32839%0.389SS..Hα-helixtrans-61.4-42.7173.3-70.5-170.5176.3-179.7-1.4111.7L469 D470 Y472 C475 P476 V477 W482 I483 H484L469-R480 PolarHBondContact O-NE 3.41Å; L469-R480 PolarHBondContact O-NH2 3.43Å; L469-R480 VanDerWaalsContact O-NH2 3.11Å; D470-R480 PolarHBondContact O-NH2 3.18Å; Y472-R480 PolarHBondContact O-NH2 2.96Å; C475-R480 HydrophobicContact CB-CG 4.22Å; P476-R480 PolarHBondContact O-N 3.27Å; V477-R480 PolarHBondContact O-N 3.1Å; R480-W482 VanDerWaalsContact C-N 3.28Å; R480-W482 PolarHBondContact O-N 2.96Å; R480-I483 VanDerWaalsContact O-CG2 3.31Å; R480-I483 WeakPolarHBondContact O-CG2 3.47Å; R480-H484 PolarHBondContact O-N 3.46Å; R480-H484 PolarHBondContact O-ND1 3.21Å
481Y87.8Confident80.1Confident150 Ų15079.3 Ų79.359%0.58839%0.388SS*.Hα-helixtrans-62.2-39.9174-177-98.1000111V477 E478 L479 I483 H484 S485V477-Y481 WeakPolarHBondContact O-CB 3.06Å; V477-Y481 PolarHBondContact O-N 3.47Å; E478-Y481 PolarHBondContact O-N 2.72Å; L479-Y481 VanDerWaalsContact C-N 3.33Å; L479-Y481 PolarHBondContact O-N 2.9Å; Y481-I483 PolarHBondContact O-N 2.9Å; Y481-H484 PolarHBondContact O-N 3.45Å; Y481-S485 WeakPolarHBondContact O-CB 3.29Å; Y481-S485 PolarHBondContact O-N 3.26Å; Y481-S485 PolarHBondContact O-OG 3.47Å
482W88.1Confident80Confident6 Ų678.9 Ų78.92%0.02338%0.38CS..Hα-helixtrans-61.7-47.2-178.9-164.321.3000112.4F364 T367 A368 K371 E389 F393 E478 L479 R480 H484 S485F364-W482 HydrophobicContact CD1-CE3 4.02Å; F364-W482 AromaticContact CD1-CZ3 3.9Å; F364-W482 HydrophobicContact CD1-CZ3 3.9Å; F364-W482 HydrophobicContact CE1-CE3 4.47Å; T367-W482 HydrophobicContact CG2-CD2 3.91Å; T367-W482 HydrophobicContact CG2-CE3 3.64Å; T367-W482 HydrophobicContact CG2-CG 4.33Å; T367-W482 HydrophobicContact CG2-CZ3 4.2Å; A368-W482 HydrophobicContact CB-CH2 3.57Å; A368-W482 HydrophobicContact CB-CZ2 4.33Å; A368-W482 HydrophobicContact CB-CZ3 4.2Å; K371-W482 WeakPolarHBondContact CE-O 3.24Å; K371-W482 PolarHBondContact NZ-O 2.96Å; E389-W482 HydrophobicContact CG-CZ2 4.27Å; F393-W482 HydrophobicContact CB-CD2 4.34Å; F393-W482 HydrophobicContact CB-CH2 3.72Å; F393-W482 HydrophobicContact CB-CZ2 3.55Å; F393-W482 HydrophobicContact CB-CZ3 4.23Å; F393-W482 AromaticContact CD1-CD2 3.85Å; F393-W482 HydrophobicContact CD1-CD2 3.85Å; F393-W482 AromaticContact CD1-CE3 3.66Å; F393-W482 HydrophobicContact CD1-CE3 3.66Å; F393-W482 HydrophobicContact CD1-CG 4.4Å; F393-W482 HydrophobicContact CD1-CH2 4.26Å; F393-W482 HydrophobicContact CD1-CZ2 4.46Å; F393-W482 AromaticContact CD1-CZ3 3.89Å; F393-W482 HydrophobicContact CD1-CZ3 3.89Å; F393-W482 HydrophobicContact CD2-CB 4.25Å; F393-W482 AromaticContact CD2-CD1 3.4Å; F393-W482 AromaticContact CD2-CD2 3.48Å; F393-W482 HydrophobicContact CD2-CD2 3.48Å; F393-W482 VanDerWaalsContact CD2-CD2 3.48Å; F393-W482 AromaticContact CD2-CE2 3.41Å; F393-W482 VanDerWaalsContact CD2-CE2 3.41Å; F393-W482 HydrophobicContact CD2-CE3 4.17Å; F393-W482 AromaticContact CD2-CG 3.5Å; F393-W482 HydrophobicContact CD2-CG 3.5Å; F393-W482 VanDerWaalsContact CD2-CG 3.5Å; F393-W482 HydrophobicContact CD2-CZ2 4.03Å; F393-W482 AromaticContact CD2-NE1 3.38Å; F393-W482 HydrophobicContact CE1-CB 4.2Å; F393-W482 HydrophobicContact CE1-CD2 4.05Å; F393-W482 AromaticContact CE1-CE3 3.92Å; F393-W482 HydrophobicContact CE1-CE3 3.92Å; F393-W482 HydrophobicContact CE1-CG 4.21Å; F393-W482 HydrophobicContact CE2-CB 3.49Å; F393-W482 VanDerWaalsContact CE2-CB 3.49Å; F393-W482 AromaticContact CE2-CD1 3.35Å; F393-W482 AromaticContact CE2-CD2 3.67Å; F393-W482 HydrophobicContact CE2-CD2 3.67Å; F393-W482 HydrophobicContact CE2-CE3 4.38Å; F393-W482 AromaticContact CE2-CG 3.23Å; F393-W482 HydrophobicContact CE2-CG 3.23Å; F393-W482 AromaticContact CE2-NE1 3.87Å; F393-W482 AromaticContact CG-CD2 3.58Å; F393-W482 HydrophobicContact CG-CD2 3.58Å; F393-W482 AromaticContact CG-CE2 3.54Å; F393-W482 AromaticContact CG-CE3 3.82Å; F393-W482 HydrophobicContact CG-CE3 3.82Å; F393-W482 HydrophobicContact CG-CG 4.09Å; F393-W482 AromaticContact CG-CH2 3.94Å; F393-W482 HydrophobicContact CG-CH2 3.94Å; F393-W482 AromaticContact CG-CZ2 3.74Å; F393-W482 HydrophobicContact CG-CZ2 3.74Å; F393-W482 AromaticContact CG-CZ3 4Å; F393-W482 HydrophobicContact CG-CZ3 4Å; F393-W482 HydrophobicContact CZ-CB 3.49Å; F393-W482 VanDerWaalsContact CZ-CB 3.49Å; F393-W482 AromaticContact CZ-CD2 3.98Å; F393-W482 HydrophobicContact CZ-CD2 3.98Å; F393-W482 HydrophobicContact CZ-CE3 4.29Å; F393-W482 AromaticContact CZ-CG 3.66Å; F393-W482 HydrophobicContact CZ-CG 3.66Å; E478-W482 WeakPolarHBondContact O-CB 3.19Å; E478-W482 PolarHBondContact O-N 3.03Å; L479-W482 HydrophobicContact CD1-CE3 4.07Å; L479-W482 WeakPolarHBondContact O-CB 3.43Å; L479-W482 PolarHBondContact O-N 2.99Å; L479-W482 VanDerWaalsContact O-N 3.13Å; R480-W482 VanDerWaalsContact C-N 3.28Å; R480-W482 PolarHBondContact O-N 2.96Å; W482-H484 PolarHBondContact O-N 3.37Å; W482-S485 WeakPolarHBondContact CA-OG 3.32Å; W482-S485 PolarHBondContact O-N 3.25Å; W482-S485 PolarHBondContact O-OG 3.42Å
483I85.2Confident79.7Confident9 Ų981.8 Ų81.85%0.04640%0.395CS..Hα-helixtrans-66.2-39.5-179.7-166.866.4000112T367 L465 T466 L469 L479 R480 Y481 S485T367-I483 HydrophobicContact CG2-CB 4.38Å; T367-I483 HydrophobicContact CG2-CD1 4.1Å; L465-I483 HydrophobicContact CD2-CD1 3.61Å; L465-I483 HydrophobicContact CD2-CG1 4.44Å; L465-I483 HydrophobicContact CG-CD1 4.13Å; L465-I483 HydrophobicContact CG-CG1 4.48Å; T466-I483 HydrophobicContact CG2-CB 4.47Å; T466-I483 HydrophobicContact CG2-CD1 4.45Å; T466-I483 HydrophobicContact CG2-CG1 3.45Å; T466-I483 VanDerWaalsContact CG2-CG1 3.45Å; T466-I483 HydrophobicContact CG2-CG2 4.24Å; L469-I483 HydrophobicContact CD1-CB 3.83Å; L469-I483 HydrophobicContact CD1-CG1 4.23Å; L469-I483 HydrophobicContact CD1-CG2 3.69Å; L479-I483 PolarHBondContact O-N 3.5Å; L479-I483 VanDerWaalsContact O-N 3.1Å; R480-I483 VanDerWaalsContact O-CG2 3.31Å; R480-I483 WeakPolarHBondContact O-CG2 3.47Å; Y481-I483 PolarHBondContact O-N 2.9Å; I483-S485 VanDerWaalsContact C-N 3.3Å; I483-S485 PolarHBondContact O-N 3.01Å
484H86Confident79.7Confident104 Ų10481.3 Ų81.348%0.48138%0.383SS..Hα-helixtrans-73.4-23.7178.2-72.289.6000113.2D470 R480 Y481 W482 R486D470-H484 IonicContact OD1-CE1 3.28Å; D470-H484 PolarHBondContact OD1-CE1 2.81Å; D470-H484 VanDerWaalsContact OD1-CE1 3.28Å; D470-H484 IonicContact OD2-CE1 3.81Å; D470-H484 IonicContact OD2-NE2 3.86Å; R480-H484 PolarHBondContact O-N 3.46Å; R480-H484 PolarHBondContact O-ND1 3.21Å; Y481-H484 PolarHBondContact O-N 3.45Å; W482-H484 PolarHBondContact O-N 3.37Å; H484-R486 PolarHBondContact O-N 2.66Å
485S81.7Confident79.6Confident15 Ų1575.6 Ų75.611%0.10535%0.35CS..  trans-67.1106.6177.271.10000109.6K371 Y481 W482 I483 T487K371-S485 PolarHBondContact NZ-O 3.37Å; K371-S485 PolarHBondContact NZ-OG 3.05Å; K371-S485 VanDerWaalsContact NZ-OG 3.07Å; Y481-S485 WeakPolarHBondContact O-CB 3.29Å; Y481-S485 PolarHBondContact O-N 3.26Å; Y481-S485 PolarHBondContact O-OG 3.47Å; W482-S485 WeakPolarHBondContact CA-OG 3.32Å; W482-S485 PolarHBondContact O-N 3.25Å; W482-S485 PolarHBondContact O-OG 3.42Å; I483-S485 VanDerWaalsContact C-N 3.3Å; I483-S485 PolarHBondContact O-N 3.01Å; S485-T487 WeakPolarHBondContact CB-OG1 3.22Å; S485-T487 PolarHBondContact O-N 2.92Å
486R64.9Low79.3Confident227 Ų22780.5 Ų80.586%0.85737%0.37SS*.  trans-67.7-10.4162.5-66.1-173.4179.9-174.6-0.2111.9H484 F488H484-R486 PolarHBondContact O-N 2.66Å; R486-F488 WeakPolarHBondContact O-CD2 3.23Å; R486-F488 VanDerWaalsContact O-CE2 3.31Å; R486-F488 WeakPolarHBondContact O-CE2 3.27Å; R486-F488 PolarHBondContact O-N 2.84Å
487T52.3Low78.6Confident99 Ų9986.1 Ų86.161%0.60739%0.393SS*.  trans-74.8114.5172.952.10000108.6S485S485-T487 WeakPolarHBondContact CB-OG1 3.22Å; S485-T487 PolarHBondContact O-N 2.92Å
488F47.5Very low77.9Confident147 Ų14783.5 Ų83.565%0.64537%0.366SS*.  trans-86.80-179.1-63.8-74.1000112.8M375 K392 R486M375-F488 HydrophobicContact CE-CB 3.27Å; M375-F488 HydrophobicContact CE-CD1 3.29Å; M375-F488 HydrophobicContact CE-CD2 4.09Å; M375-F488 HydrophobicContact CE-CE1 4.08Å; M375-F488 HydrophobicContact CE-CG 3.28Å; M375-F488 HydrophobicContact CG-CD1 3.86Å; M375-F488 HydrophobicContact CG-CE1 3.95Å; M375-F488 HydrophobicContact SD-CB 4.31Å; M375-F488 HydrophobicContact SD-CD1 3.24Å; M375-F488 WeakPolarHBondContact SD-CD1 3.29Å; M375-F488 HydrophobicContact SD-CD2 4.13Å; M375-F488 HydrophobicContact SD-CE1 3.36Å; M375-F488 WeakPolarHBondContact SD-CE1 3.25Å; M375-F488 HydrophobicContact SD-CE2 4.25Å; M375-F488 HydrophobicContact SD-CG 3.64Å; M375-F488 HydrophobicContact SD-CZ 3.89Å; K392-F488 PolarHBondContact NZ-OXT 3.12Å; R486-F488 WeakPolarHBondContact O-CD2 3.23Å; R486-F488 VanDerWaalsContact O-CE2 3.31Å; R486-F488 WeakPolarHBondContact O-CE2 3.27Å; R486-F488 PolarHBondContact O-N 2.84Å

Retrieved 488 of 488 residues in 101.6 ms (Link to these results)

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